5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride

C11H14ClNO3S2 — CID 112676774

IUPAC5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)NCCC2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO3S2/c1-7-10(18(12,15)16)6-9(17-7)11(14)13-5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyWGIYKEUAQCBWQQ-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.51
Rot. Bonds5

About 5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride

5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride (PubChem CID 112676774) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
PubChem CID112676774
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)NCCC2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO3S2/c1-7-10(18(12,15)16)6-9(17-7)11(14)13-5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyWGIYKEUAQCBWQQ-UHFFFAOYSA-N
XLogP2.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612428
2-methyl-5-(3-methylsulfonylpropylcarbamoyl)thiophene-3-sulfonyl chloride
CID 115994051
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676712
2-methyl-5-(2-propan-2-yloxyethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 104766618
2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride
CID 107421002
5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 114102246
2-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 115994049
5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 115994032
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
5-(hexan-3-ylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676753
2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride
CID 106219395
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride?
The IUPAC name of 5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride (CID 112676774) is 5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride.
What is the SMILES notation for 5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride?
The canonical SMILES for 5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride is Cc1sc(C(=O)NCCC2CC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride?
The InChIKey is WGIYKEUAQCBWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-7-10(18(12,15)16)6-9(17-7)11(14)13-5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride?
5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride has a molecular weight of 307.82 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride is sourced from PubChem (CID 112676774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).