N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C14H26N4O2S — CID 106068959

IUPACN-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NC2CCC(C)(C)CC2)cn1
InChIInChI=1S/C14H26N4O2S/c1-14(2)6-4-12(5-7-14)17-21(19,20)13-10-16-18(11-13)9-8-15-3/h10-12,15,17H,4-9H2,1-3H3
InChIKeyQONQISKODTXVJE-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.35
Rot. Bonds6

About N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106068959) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106068959
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NC2CCC(C)(C)CC2)cn1
InChIInChI=1S/C14H26N4O2S/c1-14(2)6-4-12(5-7-14)17-21(19,20)13-10-16-18(11-13)9-8-15-3/h10-12,15,17H,4-9H2,1-3H3
InChIKeyQONQISKODTXVJE-UHFFFAOYSA-N
XLogP1.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide 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

1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106075167
N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114551690
1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide
CID 114142410
N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
CID 106059803
N-(2,3-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106060298
1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
N-(1-cyclobutylethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106084908
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
1-[2-(cyclopropylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084404
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
N-[2-[cyclopropyl(methyl)amino]propyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106094169

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 106068959) is N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)NC2CCC(C)(C)CC2)cn1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is QONQISKODTXVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-14(2)6-4-12(5-7-14)17-21(19,20)13-10-16-18(11-13)9-8-15-3/h10-12,15,17H,4-9H2,1-3H3.
What are the key properties of N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106068959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).