N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C12H22N4O2S — CID 62062940

IUPACN-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1(CN)CCCC1
InChIInChI=1S/C12H22N4O2S/c1-9-11(10(2)16(3)14-9)19(17,18)15-12(8-13)6-4-5-7-12/h15H,4-8,13H2,1-3H3
InChIKeyLXJKAIOLKGGRFO-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.59
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 62062940) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID62062940
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1(CN)CCCC1
InChIInChI=1S/C12H22N4O2S/c1-9-11(10(2)16(3)14-9)19(17,18)15-12(8-13)6-4-5-7-12/h15H,4-8,13H2,1-3H3
InChIKeyLXJKAIOLKGGRFO-UHFFFAOYSA-N
XLogP0.59
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3235601
N,3,5-trimethyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 29089958
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
5-(aminomethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 145905149
N-{(3S*,4R*)-4-isopropyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-pyrrolidinyl}methanesulfonamide
CID 70742820
N-cycloheptyl-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19582879
N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63766393
1-(3,5-Diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 75449744
1-(3,5-Diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 75449755
1-(3,5-Diethyl-1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane
CID 86784564
N-(1-aminopropan-2-yl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide
CID 86784633
N-(3-aminopropyl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide
CID 86784645

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 62062940) is N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is LXJKAIOLKGGRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-11(10(2)16(3)14-9)19(17,18)15-12(8-13)6-4-5-7-12/h15H,4-8,13H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62062940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).