5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide

C15H26N2O2S2 — CID 106067326

IUPAC5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2CCCC(C)C2)sc1CN
InChIInChI=1S/C15H26N2O2S2/c1-11-4-3-5-13(8-11)6-7-17-21(18,19)15-9-12(2)14(10-16)20-15/h9,11,13,17H,3-8,10,16H2,1-2H3
InChIKeyNHCQNIOZSBPHCN-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.01
Rot. Bonds6

About 5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide

5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide (PubChem CID 106067326) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
PubChem CID106067326
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2CCCC(C)C2)sc1CN
InChIInChI=1S/C15H26N2O2S2/c1-11-4-3-5-13(8-11)6-7-17-21(18,19)15-9-12(2)14(10-16)20-15/h9,11,13,17H,3-8,10,16H2,1-2H3
InChIKeyNHCQNIOZSBPHCN-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide
CID 106067327
5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092930
5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094400
5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide
CID 106063436
5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 106072242
5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide
CID 114135259
5-(aminomethyl)-N-(2-cyclopropylpropyl)-4-methylthiophene-2-sulfonamide
CID 113476482
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054086
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-sulfonamide
CID 106001823
5-(ethylaminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092829
1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide
CID 106067299

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide (CID 106067326) is 5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCC2CCCC(C)C2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is NHCQNIOZSBPHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11-4-3-5-13(8-11)6-7-17-21(18,19)15-9-12(2)14(10-16)20-15/h9,11,13,17H,3-8,10,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide?
5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106067326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).