2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide

C15H26N2O2S2 — CID 102754394

IUPAC2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H26N2O2S2/c1-11-10-20-13(9-16)14(11)21(18,19)17(4)12-5-7-15(2,3)8-6-12/h10,12H,5-9,16H2,1-4H3
InChIKeyLWWKYNSVNADBRT-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.10
Rot. Bonds4

About 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide

2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide (PubChem CID 102754394) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide
PubChem CID102754394
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H26N2O2S2/c1-11-10-20-13(9-16)14(11)21(18,19)17(4)12-5-7-15(2,3)8-6-12/h10,12H,5-9,16H2,1-4H3
InChIKeyLWWKYNSVNADBRT-UHFFFAOYSA-N
XLogP3.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 94197142
2-[(S)-(dimethylsulfamoylamino)-phenylmethyl]thiophene
CID 35330698
5-(aminomethyl)-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 65784872
3-(aminomethyl)-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 65785640
5-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide
CID 65797947
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 65798331
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide
CID 65798333
4-(aminomethyl)-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 79179471
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide
CID 102751254
2-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide
CID 102752226
2-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide
CID 102752231
2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752961

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide (CID 102754394) is 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)N(C)C1CCC(C)(C)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide?
The InChIKey is LWWKYNSVNADBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11-10-20-13(9-16)14(11)21(18,19)17(4)12-5-7-15(2,3)8-6-12/h10,12H,5-9,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 102754394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).