1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide

C12H22N4O2S — CID 106027732

IUPAC1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)NCC2CCCCC2)cn1
InChIInChI=1S/C12H22N4O2S/c13-6-7-16-10-12(9-14-16)19(17,18)15-8-11-4-2-1-3-5-11/h9-11,15H,1-8,13H2
InChIKeyQZQAYKOGPYOSHC-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.70
Rot. Bonds6

About 1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide (PubChem CID 106027732) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
PubChem CID106027732
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)NCC2CCCCC2)cn1
InChIInChI=1S/C12H22N4O2S/c13-6-7-16-10-12(9-14-16)19(17,18)15-8-11-4-2-1-3-5-11/h9-11,15H,1-8,13H2
InChIKeyQZQAYKOGPYOSHC-UHFFFAOYSA-N
XLogP0.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide
CID 106026808
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide
CID 106067299
1-(3-aminopropyl)-N-[(1-methylpiperidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106051046
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 106016589
1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090909
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-(3-hydroxypropyl)-N-[(3-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001022
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide (CID 106027732) is 1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide is NCCn1cc(S(=O)(=O)NCC2CCCCC2)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide?
The InChIKey is QZQAYKOGPYOSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c13-6-7-16-10-12(9-14-16)19(17,18)15-8-11-4-2-1-3-5-11/h9-11,15H,1-8,13H2.
What are the key properties of 1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106027732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).