N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide

C8H14N2O2S — CID 107027904

IUPACN-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
SMILESO=C(CCS)NC1CCCNC1=O
InChIInChI=1S/C8H14N2O2S/c11-7(3-5-13)10-6-2-1-4-9-8(6)12/h6,13H,1-5H2,(H,9,12)(H,10,11)
InChIKeyPHLXFALAUMHBLJ-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.30
Rot. Bonds3

About N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide

N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide (PubChem CID 107027904) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
PubChem CID107027904
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
SMILESO=C(CCS)NC1CCCNC1=O
InChIInChI=1S/C8H14N2O2S/c11-7(3-5-13)10-6-2-1-4-9-8(6)12/h6,13H,1-5H2,(H,9,12)(H,10,11)
InChIKeyPHLXFALAUMHBLJ-UHFFFAOYSA-N
XLogP-0.30
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 55033831
N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506
6-amino-N-(2-oxoazepan-3-yl)hexanamide
CID 43704092
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
2-(tert-butylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 49495846
2-(2-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62782706

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide (CID 107027904) is N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide is O=C(CCS)NC1CCCNC1=O.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide?
The InChIKey is PHLXFALAUMHBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c11-7(3-5-13)10-6-2-1-4-9-8(6)12/h6,13H,1-5H2,(H,9,12)(H,10,11).
What are the key properties of N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide?
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide has a molecular weight of 202.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 107027904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).