2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide

C10H15N3O3S2 — CID 128583191

IUPAC2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N[C@H]2CCCNC2=O)s1
InChIInChI=1S/C10H15N3O3S2/c1-2-8-12-6-9(17-8)18(15,16)13-7-4-3-5-11-10(7)14/h6-7,13H,2-5H2,1H3,(H,11,14)/t7-/m0/s1
InChIKeyOCJNYHLKNTZKAL-ZETCQYMHSA-N
MW289.38 g/mol
LogP0.26
Rot. Bonds4

About 2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide

2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 128583191) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide
PubChem CID128583191
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N[C@H]2CCCNC2=O)s1
InChIInChI=1S/C10H15N3O3S2/c1-2-8-12-6-9(17-8)18(15,16)13-7-4-3-5-11-10(7)14/h6-7,13H,2-5H2,1H3,(H,11,14)/t7-/m0/s1
InChIKeyOCJNYHLKNTZKAL-ZETCQYMHSA-N
XLogP0.26
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide (CID 128583191) is 2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N[C@H]2CCCNC2=O)s1.
What is the InChIKey of 2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is OCJNYHLKNTZKAL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-2-8-12-6-9(17-8)18(15,16)13-7-4-3-5-11-10(7)14/h6-7,13H,2-5H2,1H3,(H,11,14)/t7-/m0/s1.
What are the key properties of 2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide?
2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 289.38 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 128583191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).