(2R)-2-amino-3-tert-butylsulfanylpropan-1-ol

C7H17NOS — CID 12064601

IUPAC(2R)-2-amino-3-tert-butylsulfanylpropan-1-ol
SMILESCC(C)(C)SC[C@H](N)CO
InChIInChI=1S/C7H17NOS/c1-7(2,3)10-5-6(8)4-9/h6,9H,4-5,8H2,1-3H3/t6-/m1/s1
InChIKeyVSZZNOLXGCHXNK-ZCFIWIBFSA-N
MW163.29 g/mol
LogP0.84
Rot. Bonds3

About (2R)-2-amino-3-tert-butylsulfanylpropan-1-ol

(2R)-2-amino-3-tert-butylsulfanylpropan-1-ol (PubChem CID 12064601) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is (2R)-2-amino-3-tert-butylsulfanylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-tert-butylsulfanylpropan-1-ol
PubChem CID12064601
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name(2R)-2-amino-3-tert-butylsulfanylpropan-1-ol
SMILESCC(C)(C)SC[C@H](N)CO
InChIInChI=1S/C7H17NOS/c1-7(2,3)10-5-6(8)4-9/h6,9H,4-5,8H2,1-3H3/t6-/m1/s1
InChIKeyVSZZNOLXGCHXNK-ZCFIWIBFSA-N
XLogP0.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-3-tert-butylsulfanylpropan-1-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)-2-amino-3-tert-butylsulfanylpropan-1-ol?
The IUPAC name of (2R)-2-amino-3-tert-butylsulfanylpropan-1-ol (CID 12064601) is (2R)-2-amino-3-tert-butylsulfanylpropan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-tert-butylsulfanylpropan-1-ol?
The canonical SMILES for (2R)-2-amino-3-tert-butylsulfanylpropan-1-ol is CC(C)(C)SC[C@H](N)CO.
What is the InChIKey of (2R)-2-amino-3-tert-butylsulfanylpropan-1-ol?
The InChIKey is VSZZNOLXGCHXNK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H17NOS/c1-7(2,3)10-5-6(8)4-9/h6,9H,4-5,8H2,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-tert-butylsulfanylpropan-1-ol?
(2R)-2-amino-3-tert-butylsulfanylpropan-1-ol has a molecular weight of 163.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-tert-butylsulfanylpropan-1-ol is sourced from PubChem (CID 12064601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).