N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine

C30H42Cl2N4O8S2 — CID 160986441

IUPACN-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine
SMILESO=S(=O)(C[C@@H](NO)[C@H]1CCCO1)N1CCc2ccc(Cl)cc2C1.O=S(=O)(C[C@H](NO)[C@H]1CCCO1)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/2C15H21ClN2O4S/c2*16-13-4-3-11-5-6-18(9-12(11)8-13)23(20,21)10-14(17-19)15-2-1-7-22-15/h2*3-4,8,14-15,17,19H,1-2,5-7,9-10H2/t14-,15+;14-,15-/m01/s1
InChIKeyTUAREWAZCRRZDU-MYUFPIPRSA-N
MW721.73 g/mol
LogP3.11
Rot. Bonds10

About N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine

N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine (PubChem CID 160986441) has the molecular formula C30H42Cl2N4O8S2 and a molecular weight of 721.73 g/mol. Its IUPAC name is N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine
PubChem CID160986441
Molecular FormulaC30H42Cl2N4O8S2
Molecular Weight721.73 g/mol
Exact Mass720.18
IUPAC NameN-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine
SMILESO=S(=O)(C[C@@H](NO)[C@H]1CCCO1)N1CCc2ccc(Cl)cc2C1.O=S(=O)(C[C@H](NO)[C@H]1CCCO1)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/2C15H21ClN2O4S/c2*16-13-4-3-11-5-6-18(9-12(11)8-13)23(20,21)10-14(17-19)15-2-1-7-22-15/h2*3-4,8,14-15,17,19H,1-2,5-7,9-10H2/t14-,15+;14-,15-/m01/s1
InChIKeyTUAREWAZCRRZDU-MYUFPIPRSA-N
XLogP3.11
TPSA157.74 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500721.73
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine with MolForge

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Related Compounds

(NE)-N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethylidene]hydroxylamine
CID 172951141
N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide
CID 16661250
N-hydroxy-N-[(1R)-1-[(2R)-oxolan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]ethyl]formamide
CID 16660448
(2R)-N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 25297833
N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide
CID 24791865
2-(chloromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 63665780
N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide
CID 16660280
tert-butyl 2-[2-[(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[formyl(hydroxy)amino]ethyl]pyrrolidine-1-carboxylate;N-hydroxy-N-[1-[(2R)-oxolan-2-yl]-2-[[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]ethyl]formamide
CID 87409054
7-chloro-N-[(1S)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97106689
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide
CID 16930858
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
1-(4-chlorophenyl)-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide
CID 16926614

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine?
The IUPAC name of N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine (CID 160986441) is N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine.
What is the SMILES notation for N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine?
The canonical SMILES for N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine is O=S(=O)(C[C@@H](NO)[C@H]1CCCO1)N1CCc2ccc(Cl)cc2C1.O=S(=O)(C[C@H](NO)[C@H]1CCCO1)N1CCc2ccc(Cl)cc2C1.
What is the InChIKey of N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine?
The InChIKey is TUAREWAZCRRZDU-MYUFPIPRSA-N. The full InChI is InChI=1S/2C15H21ClN2O4S/c2*16-13-4-3-11-5-6-18(9-12(11)8-13)23(20,21)10-14(17-19)15-2-1-7-22-15/h2*3-4,8,14-15,17,19H,1-2,5-7,9-10H2/t14-,15+;14-,15-/m01/s1.
What are the key properties of N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine?
N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine has a molecular weight of 721.73 g/mol, XLogP of 3.11, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine is sourced from PubChem (CID 160986441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).