4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide

C13H24N4O2S — CID 106076683

IUPAC4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)C1CCCCC1NS(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C13H24N4O2S/c1-9(2)11-5-3-4-6-12(11)17-20(18,19)13-10(7-14)8-15-16-13/h8-9,11-12,17H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyKTOMJJYKOKEHHT-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.36
Rot. Bonds5

About 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106076683) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
PubChem CID106076683
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)C1CCCCC1NS(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C13H24N4O2S/c1-9(2)11-5-3-4-6-12(11)17-20(18,19)13-10(7-14)8-15-16-13/h8-9,11-12,17H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyKTOMJJYKOKEHHT-UHFFFAOYSA-N
XLogP1.36
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106076678
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
4-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106018506
4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide
CID 106081474
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106063300
4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106077357
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106002887
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide
CID 106087849
4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064257
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106091522
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106075143
4-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064191

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide (CID 106076683) is 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide is CC(C)C1CCCCC1NS(=O)(=O)c1[nH]ncc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is KTOMJJYKOKEHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9(2)11-5-3-4-6-12(11)17-20(18,19)13-10(7-14)8-15-16-13/h8-9,11-12,17H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106076683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).