(2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide

C9H15N3O3S — CID 163631503

IUPAC(2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide
SMILESNC(=O)[C@@](S)(CO)N1CC2(CCCN2)C1=O
InChIInChI=1S/C9H15N3O3S/c10-6(14)9(16,5-13)12-4-8(7(12)15)2-1-3-11-8/h11,13,16H,1-5H2,(H2,10,14)/t8?,9-/m0/s1
InChIKeyHWMFCJWKFFVYRQ-GKAPJAKFSA-N
MW245.30 g/mol
LogP-1.95
Rot. Bonds3

About (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide

(2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide (PubChem CID 163631503) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide
PubChem CID163631503
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name(2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide
SMILESNC(=O)[C@@](S)(CO)N1CC2(CCCN2)C1=O
InChIInChI=1S/C9H15N3O3S/c10-6(14)9(16,5-13)12-4-8(7(12)15)2-1-3-11-8/h11,13,16H,1-5H2,(H2,10,14)/t8?,9-/m0/s1
InChIKeyHWMFCJWKFFVYRQ-GKAPJAKFSA-N
XLogP-1.95
TPSA95.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one
CID 58546685
2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide
CID 139379424
ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine
CID 144678652
(2R)-4-methyl-2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]pentanoic acid
CID 11832407
4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid
CID 19808298
methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate
CID 73013471
(2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide
CID 139370883
3-hydroxy-N-(2-methylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide
CID 123182426
2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one
CID 121304107
2-ethyl-2,6-diazaspiro[4.5]decan-1-one
CID 105440216
(5S)-10-methyl-1,10-diazaspiro[4.6]undec-8-en-11-one
CID 134842991
(4R)-2,5-diazaspiro[3.4]octan-3-one
CID 97170263

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide?
The IUPAC name of (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide (CID 163631503) is (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide?
The canonical SMILES for (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide is NC(=O)[C@@](S)(CO)N1CC2(CCCN2)C1=O.
What is the InChIKey of (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide?
The InChIKey is HWMFCJWKFFVYRQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H15N3O3S/c10-6(14)9(16,5-13)12-4-8(7(12)15)2-1-3-11-8/h11,13,16H,1-5H2,(H2,10,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide?
(2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide has a molecular weight of 245.30 g/mol, XLogP of -1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 163631503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).