1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide

C14H26N4O2S — CID 106067299

IUPAC1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide
SMILESCC1CCCC(CCNS(=O)(=O)c2cnn(CCN)c2)C1
InChIInChI=1S/C14H26N4O2S/c1-12-3-2-4-13(9-12)5-7-17-21(19,20)14-10-16-18(11-14)8-6-15/h10-13,17H,2-9,15H2,1H3
InChIKeyNCCKMWBRDFIZBE-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.34
Rot. Bonds7

About 1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 106067299) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide
PubChem CID106067299
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide
SMILESCC1CCCC(CCNS(=O)(=O)c2cnn(CCN)c2)C1
InChIInChI=1S/C14H26N4O2S/c1-12-3-2-4-13(9-12)5-7-17-21(19,20)14-10-16-18(11-14)8-6-15/h10-13,17H,2-9,15H2,1H3
InChIKeyNCCKMWBRDFIZBE-UHFFFAOYSA-N
XLogP1.34
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732
1-(3-hydroxypropyl)-N-[(3-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001022
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
1-(2-aminoethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017894
1-(2-aminoethyl)-N-(2,3-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106060239
1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106093633
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide (CID 106067299) is 1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide is CC1CCCC(CCNS(=O)(=O)c2cnn(CCN)c2)C1.
What is the InChIKey of 1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is NCCKMWBRDFIZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-12-3-2-4-13(9-12)5-7-17-21(19,20)14-10-16-18(11-14)8-6-15/h10-13,17H,2-9,15H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106067299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).