2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride

C13H18ClNO3S2 — CID 107421002

IUPAC2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)NCC2CCCC2C)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H18ClNO3S2/c1-8-4-3-5-10(8)7-15-13(16)11-6-12(9(2)19-11)20(14,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyWNCJHCSWVZRFBI-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.15
Rot. Bonds4

About 2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride

2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride (PubChem CID 107421002) has the molecular formula C13H18ClNO3S2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride
PubChem CID107421002
Molecular FormulaC13H18ClNO3S2
Molecular Weight335.88 g/mol
Exact Mass335.04
IUPAC Name2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)NCC2CCCC2C)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H18ClNO3S2/c1-8-4-3-5-10(8)7-15-13(16)11-6-12(9(2)19-11)20(14,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyWNCJHCSWVZRFBI-UHFFFAOYSA-N
XLogP3.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(2-methylcyclopentyl)methyl]-4-sulfamoylthiophene-2-carboxamide
CID 107421025
5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676774
5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 107416766
N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 114303260
5-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 107420999
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676712
5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 114102246
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide
CID 107420312
2-methyl-5-(3-methylsulfonylpropylcarbamoyl)thiophene-3-sulfonyl chloride
CID 115994051
(2-ethylcyclohexyl) 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 115994120
N-[(2-hydroxycyclohexyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 64912602
5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267579

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride (CID 107421002) is 2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride is Cc1sc(C(=O)NCC2CCCC2C)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride?
The InChIKey is WNCJHCSWVZRFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S2/c1-8-4-3-5-10(8)7-15-13(16)11-6-12(9(2)19-11)20(14,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride?
2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride has a molecular weight of 335.88 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride is sourced from PubChem (CID 107421002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).