4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one

C11H19NO2S — CID 1203177

IUPAC4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
SMILESC[C@H](O)CN1C(=O)CSC12CCCCC2
InChIInChI=1S/C11H19NO2S/c1-9(13)7-12-10(14)8-15-11(12)5-3-2-4-6-11/h9,13H,2-8H2,1H3/t9-/m0/s1
InChIKeyROTROFVLDVNEPW-VIFPVBQESA-N
MW229.34 g/mol
LogP1.60
Rot. Bonds2

About 4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one

4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 1203177) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID1203177
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
SMILESC[C@H](O)CN1C(=O)CSC12CCCCC2
InChIInChI=1S/C11H19NO2S/c1-9(13)7-12-10(14)8-15-11(12)5-3-2-4-6-11/h9,13H,2-8H2,1H3/t9-/m0/s1
InChIKeyROTROFVLDVNEPW-VIFPVBQESA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyethyl)-1-thia-4-azaspiro[4.6]undecan-3-one
CID 15326618
methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate
CID 102451370
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
CID 105441178
5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one
CID 91280510
1-(4-methyl-1-thia-4-azaspiro[4.5]decan-3-yl)propan-1-one
CID 18738816
1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298071
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014
8-[2-(2-hydroxypropylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 104594510
2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione
CID 64539399
2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107155565

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one (CID 1203177) is 4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one is C[C@H](O)CN1C(=O)CSC12CCCCC2.
What is the InChIKey of 4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is ROTROFVLDVNEPW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO2S/c1-9(13)7-12-10(14)8-15-11(12)5-3-2-4-6-11/h9,13H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of 4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one?
4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 229.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 1203177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).