(2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one

C15H27N5O3S — CID 169318437

IUPAC(2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESN[C@@H](CO)C(=O)N1CCC2(CC1)N[C@H](C(=O)N1CCNCC1)CS2
InChIInChI=1S/C15H27N5O3S/c16-11(9-21)13(22)19-5-1-15(2-6-19)18-12(10-24-15)14(23)20-7-3-17-4-8-20/h11-12,17-18,21H,1-10,16H2/t11-,12-/m0/s1
InChIKeyONNFGKIUHBGCMO-RYUDHWBXSA-N
MW357.48 g/mol
LogP-2.24
Rot. Bonds3

About (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one

(2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one (PubChem CID 169318437) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
PubChem CID169318437
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC Name(2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESN[C@@H](CO)C(=O)N1CCC2(CC1)N[C@H](C(=O)N1CCNCC1)CS2
InChIInChI=1S/C15H27N5O3S/c16-11(9-21)13(22)19-5-1-15(2-6-19)18-12(10-24-15)14(23)20-7-3-17-4-8-20/h11-12,17-18,21H,1-10,16H2/t11-,12-/m0/s1
InChIKeyONNFGKIUHBGCMO-RYUDHWBXSA-N
XLogP-2.24
TPSA110.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one (CID 169318437) is (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one is N[C@@H](CO)C(=O)N1CCC2(CC1)N[C@H](C(=O)N1CCNCC1)CS2.
What is the InChIKey of (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The InChIKey is ONNFGKIUHBGCMO-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H27N5O3S/c16-11(9-21)13(22)19-5-1-15(2-6-19)18-12(10-24-15)14(23)20-7-3-17-4-8-20/h11-12,17-18,21H,1-10,16H2/t11-,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
(2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one has a molecular weight of 357.48 g/mol, XLogP of -2.24, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one is sourced from PubChem (CID 169318437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).