(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide

C12H19N3O3S — CID 171080666

IUPAC(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
SMILESCC(=O)N1CCCCC12CN([C@@H](CS)C(N)=O)C2=O
InChIInChI=1S/C12H19N3O3S/c1-8(16)15-5-3-2-4-12(15)7-14(11(12)18)9(6-19)10(13)17/h9,19H,2-7H2,1H3,(H2,13,17)/t9-,12?/m0/s1
InChIKeyWPQRKHSWGCVQTA-QHGLUPRGSA-N
MW285.37 g/mol
LogP-0.62
Rot. Bonds3

About (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide

(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide (PubChem CID 171080666) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
PubChem CID171080666
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
SMILESCC(=O)N1CCCCC12CN([C@@H](CS)C(N)=O)C2=O
InChIInChI=1S/C12H19N3O3S/c1-8(16)15-5-3-2-4-12(15)7-14(11(12)18)9(6-19)10(13)17/h9,19H,2-7H2,1H3,(H2,13,17)/t9-,12?/m0/s1
InChIKeyWPQRKHSWGCVQTA-QHGLUPRGSA-N
XLogP-0.62
TPSA83.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-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

(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
CID 171080838
2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 134244860
(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanoic acid
CID 90329986
(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide
CID 171080700
tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241870
(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide
CID 134243495
(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide
CID 171080731
2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide
CID 134486903
2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide
CID 171080897
1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163307131
2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 90330211
2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 134243496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide (CID 171080666) is (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide is CC(=O)N1CCCCC12CN([C@@H](CS)C(N)=O)C2=O.
What is the InChIKey of (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide?
The InChIKey is WPQRKHSWGCVQTA-QHGLUPRGSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(16)15-5-3-2-4-12(15)7-14(11(12)18)9(6-19)10(13)17/h9,19H,2-7H2,1H3,(H2,13,17)/t9-,12?/m0/s1.
What are the key properties of (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide?
(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide has a molecular weight of 285.37 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 171080666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).