(3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one

C9H16O3S — CID 129378054

IUPAC(3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one
SMILESC[C@@H]1C[C@H](S[C@H](C)[C@H](C)O)C(=O)O1
InChIInChI=1S/C9H16O3S/c1-5-4-8(9(11)12-5)13-7(3)6(2)10/h5-8,10H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1
InChIKeyMOEAFLAZZGOFBL-CWKFCGSDSA-N
MW204.29 g/mol
LogP1.19
Rot. Bonds3

About (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one

(3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one (PubChem CID 129378054) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one
PubChem CID129378054
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name(3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one
SMILESC[C@@H]1C[C@H](S[C@H](C)[C@H](C)O)C(=O)O1
InChIInChI=1S/C9H16O3S/c1-5-4-8(9(11)12-5)13-7(3)6(2)10/h5-8,10H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1
InChIKeyMOEAFLAZZGOFBL-CWKFCGSDSA-N
XLogP1.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-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 (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one?
The IUPAC name of (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one (CID 129378054) is (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one.
What is the SMILES notation for (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one?
The canonical SMILES for (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one is C[C@@H]1C[C@H](S[C@H](C)[C@H](C)O)C(=O)O1.
What is the InChIKey of (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one?
The InChIKey is MOEAFLAZZGOFBL-CWKFCGSDSA-N. The full InChI is InChI=1S/C9H16O3S/c1-5-4-8(9(11)12-5)13-7(3)6(2)10/h5-8,10H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1.
What are the key properties of (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one?
(3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one has a molecular weight of 204.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-5-methyloxolan-2-one is sourced from PubChem (CID 129378054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).