N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C15H22N2O3S — CID 95150814

IUPACN-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESO=S(=O)(NCC[C@H]1CCCO1)N1CCc2ccccc2C1
InChIInChI=1S/C15H22N2O3S/c18-21(19,16-9-7-15-6-3-11-20-15)17-10-8-13-4-1-2-5-14(13)12-17/h1-2,4-5,15-16H,3,6-12H2/t15-/m1/s1
InChIKeyPQSZGWYEKIEJEI-OAHLLOKOSA-N
MW310.42 g/mol
LogP1.45
Rot. Bonds5

About N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 95150814) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID95150814
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESO=S(=O)(NCC[C@H]1CCCO1)N1CCc2ccccc2C1
InChIInChI=1S/C15H22N2O3S/c18-21(19,16-9-7-15-6-3-11-20-15)17-10-8-13-4-1-2-5-14(13)12-17/h1-2,4-5,15-16H,3,6-12H2/t15-/m1/s1
InChIKeyPQSZGWYEKIEJEI-OAHLLOKOSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 104972706
N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
CID 119979174
2-ethylsulfonyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 100669345
oxolan-2-ylmethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 24518652
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 95612335
N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 115301347
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 95204803
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 51080465
N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide
CID 164633043
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125684
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 94020781

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 95150814) is N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is O=S(=O)(NCC[C@H]1CCCO1)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is PQSZGWYEKIEJEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-21(19,16-9-7-15-6-3-11-20-15)17-10-8-13-4-1-2-5-14(13)12-17/h1-2,4-5,15-16H,3,6-12H2/t15-/m1/s1.
What are the key properties of N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 95150814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).