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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Related Compounds

4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
CID 39667448
N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39667463
5-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730099
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 42268041
5-methyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636189
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 47139078
5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide
CID 20939789
1-[3-[(5-methylthiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 17211975
3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide
CID 110722868
3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 39667460
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909

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).