5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride

C13H18ClNO3S2 — CID 115994032

IUPAC5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
SMILESCCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Cl)c(C)s1
InChIInChI=1S/C13H18ClNO3S2/c1-3-6-15(8-10-4-5-10)13(16)11-7-12(9(2)19-11)20(14,17)18/h7,10H,3-6,8H2,1-2H3
InChIKeyGFQWWEQIHAYVAR-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.25
Rot. Bonds6

About 5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride

5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride (PubChem CID 115994032) has the molecular formula C13H18ClNO3S2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
PubChem CID115994032
Molecular FormulaC13H18ClNO3S2
Molecular Weight335.88 g/mol
Exact Mass335.04
IUPAC Name5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
SMILESCCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Cl)c(C)s1
InChIInChI=1S/C13H18ClNO3S2/c1-3-6-15(8-10-4-5-10)13(16)11-7-12(9(2)19-11)20(14,17)18/h7,10H,3-6,8H2,1-2H3
InChIKeyGFQWWEQIHAYVAR-UHFFFAOYSA-N
XLogP3.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-5-methyl-N-propyl-4-sulfamoylthiophene-2-carboxamide
CID 115612410
N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115629451
5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676774
N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide
CID 134029193
5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
CID 60722178
4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
CID 78785868
N-(cyclopropylmethyl)-2-methyl-N-propyl-5-sulfamoylbenzamide
CID 60637766
5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride
CID 65397254
4-[cyclopropylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 55200554
N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612426
5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720777
(2-ethylcyclohexyl) 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 115994120

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride?
The IUPAC name of 5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride (CID 115994032) is 5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride.
What is the SMILES notation for 5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride?
The canonical SMILES for 5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride is CCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Cl)c(C)s1.
What is the InChIKey of 5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride?
The InChIKey is GFQWWEQIHAYVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S2/c1-3-6-15(8-10-4-5-10)13(16)11-7-12(9(2)19-11)20(14,17)18/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride?
5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride has a molecular weight of 335.88 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride is sourced from PubChem (CID 115994032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).