N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide

C15H26N4O3S — CID 120584893

IUPACN-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
SMILESNCC(NS(=O)(=O)c1cnn(C2CCOCC2)c1)C1CCCC1
InChIInChI=1S/C15H26N4O3S/c16-9-15(12-3-1-2-4-12)18-23(20,21)14-10-17-19(11-14)13-5-7-22-8-6-13/h10-13,15,18H,1-9,16H2
InChIKeyOQVZFFJFJPWOGX-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.03
Rot. Bonds6

About N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide

N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide (PubChem CID 120584893) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
PubChem CID120584893
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
SMILESNCC(NS(=O)(=O)c1cnn(C2CCOCC2)c1)C1CCCC1
InChIInChI=1S/C15H26N4O3S/c16-9-15(12-3-1-2-4-12)18-23(20,21)14-10-17-19(11-14)13-5-7-22-8-6-13/h10-13,15,18H,1-9,16H2
InChIKeyOQVZFFJFJPWOGX-UHFFFAOYSA-N
XLogP1.03
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 124702095
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
CID 119983754
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride
CID 119983753
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-4-sulfonamide
CID 119987043
N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride
CID 120585040
N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120711275
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(4,4-difluorocyclohexyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 138041823
N-(2-amino-1-cyclopentylethyl)-5-chloropyridine-3-sulfonamide
CID 120584957
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
CID 99823190
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide (CID 120584893) is N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide is NCC(NS(=O)(=O)c1cnn(C2CCOCC2)c1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide?
The InChIKey is OQVZFFJFJPWOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c16-9-15(12-3-1-2-4-12)18-23(20,21)14-10-17-19(11-14)13-5-7-22-8-6-13/h10-13,15,18H,1-9,16H2.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide?
N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120584893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).