2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide

C15H26N2O2S2 — CID 106061994

IUPAC2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1c(C)csc1CN)C1CCCCC1
InChIInChI=1S/C15H26N2O2S2/c1-3-13(12-7-5-4-6-8-12)17-21(18,19)15-11(2)10-20-14(15)9-16/h10,12-13,17H,3-9,16H2,1-2H3
InChIKeyIEWKLYSUVVYFNW-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.15
Rot. Bonds6

About 2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106061994) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide
PubChem CID106061994
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1c(C)csc1CN)C1CCCCC1
InChIInChI=1S/C15H26N2O2S2/c1-3-13(12-7-5-4-6-8-12)17-21(18,19)15-11(2)10-20-14(15)9-16/h10,12-13,17H,3-9,16H2,1-2H3
InChIKeyIEWKLYSUVVYFNW-UHFFFAOYSA-N
XLogP3.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
CID 106068928
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091700
2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide
CID 114112528
2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide
CID 102752632
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
2-amino-N-(1-cyclohexylpropyl)pyrimidine-5-sulfonamide
CID 62407787
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
CID 106085015
2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082660

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide (CID 106061994) is 2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide is CCC(NS(=O)(=O)c1c(C)csc1CN)C1CCCCC1.
What is the InChIKey of 2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is IEWKLYSUVVYFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-3-13(12-7-5-4-6-8-12)17-21(18,19)15-11(2)10-20-14(15)9-16/h10,12-13,17H,3-9,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106061994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).