3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride

C13H18ClNO3S2 — CID 79808381

IUPAC3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)NC2CCC(C)CC2)csc1S(=O)(=O)Cl
InChIInChI=1S/C13H18ClNO3S2/c1-8-3-5-10(6-4-8)15-12(16)11-7-19-13(9(11)2)20(14,17)18/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyGOYMTGUAMNEDNH-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.29
Rot. Bonds3

About 3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride

3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride (PubChem CID 79808381) has the molecular formula C13H18ClNO3S2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride
PubChem CID79808381
Molecular FormulaC13H18ClNO3S2
Molecular Weight335.88 g/mol
Exact Mass335.04
IUPAC Name3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)NC2CCC(C)CC2)csc1S(=O)(=O)Cl
InChIInChI=1S/C13H18ClNO3S2/c1-8-3-5-10(6-4-8)15-12(16)11-7-19-13(9(11)2)20(14,17)18/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyGOYMTGUAMNEDNH-UHFFFAOYSA-N
XLogP3.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride
CID 79808886
4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride
CID 79808812
3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 79807433
4-carbamoyl-3-methylthiophene-2-sulfonyl chloride
CID 79807645
3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79808782
2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
CID 106206949
3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807541
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
5-chloro-2-methyl-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551529
4-chloro-6-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 81225864
5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 102704816

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride (CID 79808381) is 3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride is Cc1c(C(=O)NC2CCC(C)CC2)csc1S(=O)(=O)Cl.
What is the InChIKey of 3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride?
The InChIKey is GOYMTGUAMNEDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S2/c1-8-3-5-10(6-4-8)15-12(16)11-7-19-13(9(11)2)20(14,17)18/h7-8,10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride?
3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride has a molecular weight of 335.88 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 79808381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).