N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C12H22N4O2S — CID 28940486

IUPACN-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C12H22N4O2S/c1-9-11(10(2)15-14-9)19(17,18)16-12(8-13)6-4-3-5-7-12/h16H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyLYWWWGSQKSKSNU-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.97
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 28940486) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID28940486
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C12H22N4O2S/c1-9-11(10(2)15-14-9)19(17,18)16-12(8-13)6-4-3-5-7-12/h16H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyLYWWWGSQKSKSNU-UHFFFAOYSA-N
XLogP0.97
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 3244235
N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226714
N-tert-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226783
N-[3-(diethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16288064
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-methylpiperidine
CID 4368065
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247892
3,5-dimethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 79886551
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 3331839
3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 60715081
3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 60722124
3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 60722153
3-(aminomethyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide
CID 65799380

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 28940486) is N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LYWWWGSQKSKSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-11(10(2)15-14-9)19(17,18)16-12(8-13)6-4-3-5-7-12/h16H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 28940486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).