4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride

C13H18ClNO3S2 — CID 112734617

IUPAC4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
SMILESCCC1CCC(C)N(C(=O)c2csc(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C13H18ClNO3S2/c1-3-10-5-4-9(2)15(7-10)13(16)11-6-12(19-8-11)20(14,17)18/h6,8-10H,3-5,7H2,1-2H3
InChIKeyYDJPDRDNDBWMPG-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.33
Rot. Bonds3

About 4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride

4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride (PubChem CID 112734617) has the molecular formula C13H18ClNO3S2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
PubChem CID112734617
Molecular FormulaC13H18ClNO3S2
Molecular Weight335.88 g/mol
Exact Mass335.04
IUPAC Name4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
SMILESCCC1CCC(C)N(C(=O)c2csc(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C13H18ClNO3S2/c1-3-10-5-4-9(2)15(7-10)13(16)11-6-12(19-8-11)20(14,17)18/h6,8-10H,3-5,7H2,1-2H3
InChIKeyYDJPDRDNDBWMPG-UHFFFAOYSA-N
XLogP3.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride (CID 112734617) is 4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride is CCC1CCC(C)N(C(=O)c2csc(S(=O)(=O)Cl)c2)C1.
What is the InChIKey of 4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The InChIKey is YDJPDRDNDBWMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S2/c1-3-10-5-4-9(2)15(7-10)13(16)11-6-12(19-8-11)20(14,17)18/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride has a molecular weight of 335.88 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 112734617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).