2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one

C7H13NO4S — CID 117029960

IUPAC2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one
SMILESO=C1CCCS(=O)(=O)N1CCCO
InChIInChI=1S/C7H13NO4S/c9-5-2-4-8-7(10)3-1-6-13(8,11)12/h9H,1-6H2
InChIKeyNSNSABLZWBUQDN-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.68
Rot. Bonds3

About 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one

2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one (PubChem CID 117029960) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one
PubChem CID117029960
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one
SMILESO=C1CCCS(=O)(=O)N1CCCO
InChIInChI=1S/C7H13NO4S/c9-5-2-4-8-7(10)3-1-6-13(8,11)12/h9H,1-6H2
InChIKeyNSNSABLZWBUQDN-UHFFFAOYSA-N
XLogP-0.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one 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

2-(1,1,3-trioxothiazinan-2-yl)acetonitrile
CID 117029979
2-[3-(3-tert-butylphenoxy)propyl]-1,1-dioxothiazinan-3-one
CID 167749491
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
2-(3-hydroxypropyl)oxazinan-3-one
CID 105431183
5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
CID 62228047
2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one
CID 117029994
2-(6-hydroxyhexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 107705177
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-[2-(3-hydroxypropylsulfanyl)ethyl]piperidine-2,6-dione
CID 106305045
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
CID 105467991
2-methyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)propanoic acid
CID 117029892
1-(3-hydroxypropyl)piperazine-2,6-dione
CID 66062838

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one (CID 117029960) is 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one is O=C1CCCS(=O)(=O)N1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one?
The InChIKey is NSNSABLZWBUQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c9-5-2-4-8-7(10)3-1-6-13(8,11)12/h9H,1-6H2.
What are the key properties of 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one?
2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one has a molecular weight of 207.25 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1,1-dioxothiazinan-3-one is sourced from PubChem (CID 117029960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).