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

C17H33ClN4O2S — CID 120713549

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1(CN)CCCCC1C.Cl
InChIInChI=1S/C17H32N4O2S.ClH/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;1H
InChIKeyRNLJOIHGLYUPAM-UHFFFAOYSA-N
MW393.00 g/mol
LogP2.76
Rot. Bonds6

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

N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120713549) has the molecular formula C17H33ClN4O2S and a molecular weight of 393.00 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120713549
Molecular FormulaC17H33ClN4O2S
Molecular Weight393.00 g/mol
Exact Mass392.20
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1(CN)CCCCC1C.Cl
InChIInChI=1S/C17H32N4O2S.ClH/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;1H
InChIKeyRNLJOIHGLYUPAM-UHFFFAOYSA-N
XLogP2.76
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.00
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 120713550
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120607149
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120607333
N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 120711253
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride
CID 120607511
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 120607415
3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120720041
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
CID 120607414
3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 84600949
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (CID 120713549) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1(CN)CCCCC1C.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is RNLJOIHGLYUPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2S.ClH/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;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 393.00 g/mol, XLogP of 2.76, 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;hydrochloride is sourced from PubChem (CID 120713549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).