4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride

C11H14ClNO3S2 — CID 65398442

IUPAC4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
SMILESCC1(NC(=O)c2csc(S(=O)(=O)Cl)c2)CCCC1
InChIInChI=1S/C11H14ClNO3S2/c1-11(4-2-3-5-11)13-10(14)8-6-9(17-7-8)18(12,15)16/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyDGLQUIHHURIOLJ-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.74
Rot. Bonds3

About 4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride

4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride (PubChem CID 65398442) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
PubChem CID65398442
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
SMILESCC1(NC(=O)c2csc(S(=O)(=O)Cl)c2)CCCC1
InChIInChI=1S/C11H14ClNO3S2/c1-11(4-2-3-5-11)13-10(14)8-6-9(17-7-8)18(12,15)16/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyDGLQUIHHURIOLJ-UHFFFAOYSA-N
XLogP2.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79357188
4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65371125
4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 102701127
4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368622
4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
methyl 5-chlorosulfonylthiophene-3-carboxylate
CID 43414198
4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 104766562
N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 63823232
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65397268
2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 65397672
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride (CID 65398442) is 4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride is CC1(NC(=O)c2csc(S(=O)(=O)Cl)c2)CCCC1.
What is the InChIKey of 4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride?
The InChIKey is DGLQUIHHURIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-11(4-2-3-5-11)13-10(14)8-6-9(17-7-8)18(12,15)16/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride?
4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride has a molecular weight of 307.82 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65398442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).