2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride

C12H18ClNO3S2 — CID 112676745

IUPAC2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
SMILESCCC(C)C(C)NC(=O)c1cc(S(=O)(=O)Cl)c(C)s1
InChIInChI=1S/C12H18ClNO3S2/c1-5-7(2)8(3)14-12(15)10-6-11(9(4)18-10)19(13,16)17/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyLGRWKJYLQRUPMT-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.15
Rot. Bonds5

About 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride

2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride (PubChem CID 112676745) has the molecular formula C12H18ClNO3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
PubChem CID112676745
Molecular FormulaC12H18ClNO3S2
Molecular Weight323.87 g/mol
Exact Mass323.04
IUPAC Name2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
SMILESCCC(C)C(C)NC(=O)c1cc(S(=O)(=O)Cl)c(C)s1
InChIInChI=1S/C12H18ClNO3S2/c1-5-7(2)8(3)14-12(15)10-6-11(9(4)18-10)19(13,16)17/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyLGRWKJYLQRUPMT-UHFFFAOYSA-N
XLogP3.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hexan-3-ylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676753
2-methyl-5-(2-propan-2-yloxyethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 104766618
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370050
2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676797
2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370425
4-methylpentyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676798
2-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 115994049
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676712
5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 114102246
2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370240
2-methyl-5-(3-methylsulfonylpropylcarbamoyl)thiophene-3-sulfonyl chloride
CID 115994051
5-methyl-N-(2-methylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 112676814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride (CID 112676745) is 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride is CCC(C)C(C)NC(=O)c1cc(S(=O)(=O)Cl)c(C)s1.
What is the InChIKey of 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride?
The InChIKey is LGRWKJYLQRUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S2/c1-5-7(2)8(3)14-12(15)10-6-11(9(4)18-10)19(13,16)17/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride?
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride has a molecular weight of 323.87 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride is sourced from PubChem (CID 112676745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).