3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride

C12H18ClNO3S2 — CID 79807541

IUPAC3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCCC(C)C(C)NC(=O)c1csc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C12H18ClNO3S2/c1-5-7(2)9(4)14-11(15)10-6-18-12(8(10)3)19(13,16)17/h6-7,9H,5H2,1-4H3,(H,14,15)
InChIKeyGLDFLUGTMHXSDT-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.15
Rot. Bonds5

About 3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride

3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride (PubChem CID 79807541) has the molecular formula C12H18ClNO3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
PubChem CID79807541
Molecular FormulaC12H18ClNO3S2
Molecular Weight323.87 g/mol
Exact Mass323.04
IUPAC Name3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCCC(C)C(C)NC(=O)c1csc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C12H18ClNO3S2/c1-5-7(2)9(4)14-11(15)10-6-18-12(8(10)3)19(13,16)17/h6-7,9H,5H2,1-4H3,(H,14,15)
InChIKeyGLDFLUGTMHXSDT-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

4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide
CID 79818480
4-carbamoyl-3-methylthiophene-2-sulfonyl chloride
CID 79807645
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807759
4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride
CID 79808812
4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride
CID 79808886
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 104830396
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370050
2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370240
3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79808381
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride (CID 79807541) is 3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride is CCC(C)C(C)NC(=O)c1csc(S(=O)(=O)Cl)c1C.
What is the InChIKey of 3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride?
The InChIKey is GLDFLUGTMHXSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S2/c1-5-7(2)9(4)14-11(15)10-6-18-12(8(10)3)19(13,16)17/h6-7,9H,5H2,1-4H3,(H,14,15).
What are the key properties of 3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride?
3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-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 3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 79807541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).