(2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol

C10H23NOS — CID 10965649

IUPAC(2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol
SMILESCCC[C@H](O)[C@@H](CNC(C)C)SC
InChIInChI=1S/C10H23NOS/c1-5-6-9(12)10(13-4)7-11-8(2)3/h8-12H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyWECZRGPHFSWSKM-VHSXEESVSA-N
MW205.37 g/mol
LogP1.88
Rot. Bonds7

About (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol

(2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol (PubChem CID 10965649) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol
PubChem CID10965649
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name(2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol
SMILESCCC[C@H](O)[C@@H](CNC(C)C)SC
InChIInChI=1S/C10H23NOS/c1-5-6-9(12)10(13-4)7-11-8(2)3/h8-12H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyWECZRGPHFSWSKM-VHSXEESVSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol 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 (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol?
The IUPAC name of (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol (CID 10965649) is (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol.
What is the SMILES notation for (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol?
The canonical SMILES for (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol is CCC[C@H](O)[C@@H](CNC(C)C)SC.
What is the InChIKey of (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol?
The InChIKey is WECZRGPHFSWSKM-VHSXEESVSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-6-9(12)10(13-4)7-11-8(2)3/h8-12H,5-7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol?
(2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol has a molecular weight of 205.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methylsulfanyl-1-(propan-2-ylamino)hexan-3-ol is sourced from PubChem (CID 10965649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).