2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate

C11H15ClO4S2 — CID 103286114

IUPAC2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate
SMILESCCCC(C)COC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H15ClO4S2/c1-3-4-8(2)6-16-11(13)9-5-10(17-7-9)18(12,14)15/h5,7-8H,3-4,6H2,1-2H3
InChIKeyXOXDADSZGVUGOJ-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.27
Rot. Bonds6

About 2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate

2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate (PubChem CID 103286114) has the molecular formula C11H15ClO4S2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate
PubChem CID103286114
Molecular FormulaC11H15ClO4S2
Molecular Weight310.82 g/mol
Exact Mass310.01
IUPAC Name2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate
SMILESCCCC(C)COC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H15ClO4S2/c1-3-4-8(2)6-16-11(13)9-5-10(17-7-9)18(12,14)15/h5,7-8H,3-4,6H2,1-2H3
InChIKeyXOXDADSZGVUGOJ-UHFFFAOYSA-N
XLogP3.27
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropoxy)ethyl 5-chlorosulfonylthiophene-3-carboxylate
CID 106450848
methyl 5-chlorosulfonylthiophene-3-carboxylate
CID 43414198
2-methylpentyl 4-chloro-3-chlorosulfonyl-5-methylbenzoate
CID 103286132
2-methylpentyl 5-chlorosulfonyl-2-fluoro-3-methylbenzoate
CID 103286150
2-methylpentyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 103286133
4-(2-methylpentoxycarbonyl)benzoic acid
CID 174193662
2-methylpentyl 3-amino-4-methylbenzoate
CID 62265210
4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65370094
4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 102701127
2-methylpentyl 4-amino-2,6-difluorobenzoate
CID 114217298
4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 104766562
2-methylpentyl 6-bromopyridine-3-carboxylate
CID 103285936

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate?
The IUPAC name of 2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate (CID 103286114) is 2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate.
What is the SMILES notation for 2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate?
The canonical SMILES for 2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate is CCCC(C)COC(=O)c1csc(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate?
The InChIKey is XOXDADSZGVUGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4S2/c1-3-4-8(2)6-16-11(13)9-5-10(17-7-9)18(12,14)15/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate?
2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate has a molecular weight of 310.82 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate is sourced from PubChem (CID 103286114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).