5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide

C16H25N3O4S — CID 119631942

IUPAC5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC2CN)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C16H25N3O4S/c1-11(2)18-24(21,22)15-9-12(6-7-14(15)23-3)16(20)19-8-4-5-13(19)10-17/h6-7,9,11,13,18H,4-5,8,10,17H2,1-3H3
InChIKeyNPOGZBZSRXEXNS-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.95
Rot. Bonds6

About 5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide

5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide (PubChem CID 119631942) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
PubChem CID119631942
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC2CN)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C16H25N3O4S/c1-11(2)18-24(21,22)15-9-12(6-7-14(15)23-3)16(20)19-8-4-5-13(19)10-17/h6-7,9,11,13,18H,4-5,8,10,17H2,1-3H3
InChIKeyNPOGZBZSRXEXNS-UHFFFAOYSA-N
XLogP0.95
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631968
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600548
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide
CID 43060412
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119543842
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119632145
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125
N-[2-(aminomethyl)cyclohexyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 119610116

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide (CID 119631942) is 5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide is COc1ccc(C(=O)N2CCCC2CN)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NPOGZBZSRXEXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-11(2)18-24(21,22)15-9-12(6-7-14(15)23-3)16(20)19-8-4-5-13(19)10-17/h6-7,9,11,13,18H,4-5,8,10,17H2,1-3H3.
What are the key properties of 5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide?
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 119631942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).