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

C14H23N3O3S — CID 171080838

IUPAC(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
SMILESCC(C)C(=O)N1CCCCC12CN([C@@H](CS)C(N)=O)C2=O
InChIInChI=1S/C14H23N3O3S/c1-9(2)12(19)17-6-4-3-5-14(17)8-16(13(14)20)10(7-21)11(15)18/h9-10,21H,3-8H2,1-2H3,(H2,15,18)/t10-,14?/m0/s1
InChIKeyOTDGGMYYWFSLTN-XLLULAGJSA-N
MW313.42 g/mol
LogP0.02
Rot. Bonds4

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

(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide (PubChem CID 171080838) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
PubChem CID171080838
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
SMILESCC(C)C(=O)N1CCCCC12CN([C@@H](CS)C(N)=O)C2=O
InChIInChI=1S/C14H23N3O3S/c1-9(2)12(19)17-6-4-3-5-14(17)8-16(13(14)20)10(7-21)11(15)18/h9-10,21H,3-8H2,1-2H3,(H2,15,18)/t10-,14?/m0/s1
InChIKeyOTDGGMYYWFSLTN-XLLULAGJSA-N
XLogP0.02
TPSA83.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 171080666
2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide
CID 171080897
2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 134244860
(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide
CID 171080731
[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium
CID 148619155
(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide
CID 171080700
(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide
CID 134243495
benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate
CID 156702889
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
2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one
CID 78318211
2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 134243496
(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanoic acid
CID 90329986

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide (CID 171080838) is (2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide is CC(C)C(=O)N1CCCCC12CN([C@@H](CS)C(N)=O)C2=O.
What is the InChIKey of (2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide?
The InChIKey is OTDGGMYYWFSLTN-XLLULAGJSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-9(2)12(19)17-6-4-3-5-14(17)8-16(13(14)20)10(7-21)11(15)18/h9-10,21H,3-8H2,1-2H3,(H2,15,18)/t10-,14?/m0/s1.
What are the key properties of (2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide?
(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide has a molecular weight of 313.42 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide is sourced from PubChem (CID 171080838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).