(2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide

C11H19N3O2S — CID 138664759

IUPAC(2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide
SMILESN[C@@H](CS)C(=O)NC1CCC2(CC1)CNC2=O
InChIInChI=1S/C11H19N3O2S/c12-8(5-17)9(15)14-7-1-3-11(4-2-7)6-13-10(11)16/h7-8,17H,1-6,12H2,(H,13,16)(H,14,15)/t7?,8-,11?/m0/s1
InChIKeyGQQRIDWZAJVEBY-KAIZJQOQSA-N
MW257.36 g/mol
LogP-0.58
Rot. Bonds3

About (2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide

(2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide (PubChem CID 138664759) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide
PubChem CID138664759
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name(2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide
SMILESN[C@@H](CS)C(=O)NC1CCC2(CC1)CNC2=O
InChIInChI=1S/C11H19N3O2S/c12-8(5-17)9(15)14-7-1-3-11(4-2-7)6-13-10(11)16/h7-8,17H,1-6,12H2,(H,13,16)(H,14,15)/t7?,8-,11?/m0/s1
InChIKeyGQQRIDWZAJVEBY-KAIZJQOQSA-N
XLogP-0.58
TPSA84.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-hydroxy-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)propanamide
CID 134244177
[4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]cyclohexyl]oxy-propan-2-ylphosphinic acid
CID 166937204
(2S)-2-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187633
(2R)-2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187627
(2R)-2-amino-N-formyl-3-sulfanylpropanamide
CID 175062491
2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 106187812
2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide
CID 159536541
(2R)-2-amino-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 104903249
(2S)-2-amino-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 61247695
(2R)-2-amino-3-hydroxy-N-(4-hydroxycyclohexyl)propanamide
CID 70908971
2-amino-N-(6-oxopiperidin-3-yl)pentanamide
CID 63661228
(2R)-2-amino-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 164662315

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide (CID 138664759) is (2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide is N[C@@H](CS)C(=O)NC1CCC2(CC1)CNC2=O.
What is the InChIKey of (2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide?
The InChIKey is GQQRIDWZAJVEBY-KAIZJQOQSA-N. The full InChI is InChI=1S/C11H19N3O2S/c12-8(5-17)9(15)14-7-1-3-11(4-2-7)6-13-10(11)16/h7-8,17H,1-6,12H2,(H,13,16)(H,14,15)/t7?,8-,11?/m0/s1.
What are the key properties of (2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide?
(2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide has a molecular weight of 257.36 g/mol, XLogP of -0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-oxo-2-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 138664759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).