[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone

C17H25N3O5S — CID 119631968

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC2CN)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H25N3O5S/c1-24-15-5-4-13(17(21)20-6-2-3-14(20)12-18)11-16(15)26(22,23)19-7-9-25-10-8-19/h4-5,11,14H,2-3,6-10,12,18H2,1H3
InChIKeyQKFNIPGXXUHPLU-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.28
Rot. Bonds5

About [2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 119631968) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID119631968
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC2CN)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H25N3O5S/c1-24-15-5-4-13(17(21)20-6-2-3-14(20)12-18)11-16(15)26(22,23)19-7-9-25-10-8-19/h4-5,11,14H,2-3,6-10,12,18H2,1H3
InChIKeyQKFNIPGXXUHPLU-UHFFFAOYSA-N
XLogP0.28
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631558
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 26003172
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 17474274
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 95285624
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 9296611
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
[1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949051
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649218
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone (CID 119631968) is [2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone is COc1ccc(C(=O)N2CCCC2CN)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is QKFNIPGXXUHPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-24-15-5-4-13(17(21)20-6-2-3-14(20)12-18)11-16(15)26(22,23)19-7-9-25-10-8-19/h4-5,11,14H,2-3,6-10,12,18H2,1H3.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 383.47 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 119631968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).