N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide

C15H26N2O2S2 — CID 106060252

IUPACN-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NC1CCCC(C)C1C
InChIInChI=1S/C15H26N2O2S2/c1-10-6-5-7-13(12(10)3)17-21(18,19)15-11(2)9-20-14(15)8-16-4/h9-10,12-13,16-17H,5-8H2,1-4H3
InChIKeyUBBRFXSIGICTCY-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.88
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106060252) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106060252
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NC1CCCC(C)C1C
InChIInChI=1S/C15H26N2O2S2/c1-10-6-5-7-13(12(10)3)17-21(18,19)15-11(2)9-20-14(15)8-16-4/h9-10,12-13,16-17H,5-8H2,1-4H3
InChIKeyUBBRFXSIGICTCY-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091673
N-(2,2-dimethylcyclopentyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070986
2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide
CID 102753338
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102754265
2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091700
N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106002341
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine
CID 102753824
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide
CID 11928435
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102751087

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106060252) is N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is UBBRFXSIGICTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-10-6-5-7-13(12(10)3)17-21(18,19)15-11(2)9-20-14(15)8-16-4/h9-10,12-13,16-17H,5-8H2,1-4H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106060252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).