N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

C17H32N4O2S — CID 120713550

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C17H32N4O2S/c1-12(2)10-21-15(5)16(14(4)19-21)24(22,23)20-17(11-18)9-7-6-8-13(17)3/h12-13,20H,6-11,18H2,1-5H3
InChIKeyMIHRSFYEFSUEJF-UHFFFAOYSA-N
MW356.54 g/mol
LogP2.34
Rot. Bonds6

About N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 120713550) has the molecular formula C17H32N4O2S and a molecular weight of 356.54 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID120713550
Molecular FormulaC17H32N4O2S
Molecular Weight356.54 g/mol
Exact Mass356.22
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C17H32N4O2S/c1-12(2)10-21-15(5)16(14(4)19-21)24(22,23)20-17(11-18)9-7-6-8-13(17)3/h12-13,20H,6-11,18H2,1-5H3
InChIKeyMIHRSFYEFSUEJF-UHFFFAOYSA-N
XLogP2.34
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 120713550) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1(CN)CCCCC1C.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is MIHRSFYEFSUEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2S/c1-12(2)10-21-15(5)16(14(4)19-21)24(22,23)20-17(11-18)9-7-6-8-13(17)3/h12-13,20H,6-11,18H2,1-5H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 356.54 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120713550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).