5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide

C12H18N2O3S2 — CID 110722837

IUPAC5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCCCC2=O)s1
InChIInChI=1S/C12H18N2O3S2/c1-10-5-6-12(18-10)19(16,17)13-7-9-14-8-3-2-4-11(14)15/h5-6,13H,2-4,7-9H2,1H3
InChIKeyCHNXMNMDRGVFAV-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.35
Rot. Bonds5

About 5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110722837) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110722837
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCCCC2=O)s1
InChIInChI=1S/C12H18N2O3S2/c1-10-5-6-12(18-10)19(16,17)13-7-9-14-8-3-2-4-11(14)15/h5-6,13H,2-4,7-9H2,1H3
InChIKeyCHNXMNMDRGVFAV-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide (CID 110722837) is 5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCN2CCCCC2=O)s1.
What is the InChIKey of 5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is CHNXMNMDRGVFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-10-5-6-12(18-10)19(16,17)13-7-9-14-8-3-2-4-11(14)15/h5-6,13H,2-4,7-9H2,1H3.
What are the key properties of 5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110722837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).