3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol

C10H23NO2S — CID 114370636

IUPAC3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol
SMILESCC(CCO)SC(CO)C(N)C(C)C
InChIInChI=1S/C10H23NO2S/c1-7(2)10(11)9(6-13)14-8(3)4-5-12/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyMNBNDRVSJZCMAK-UHFFFAOYSA-N
MW221.37 g/mol
LogP0.83
Rot. Bonds7

About 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol

3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol (PubChem CID 114370636) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol
PubChem CID114370636
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol
SMILESCC(CCO)SC(CO)C(N)C(C)C
InChIInChI=1S/C10H23NO2S/c1-7(2)10(11)9(6-13)14-8(3)4-5-12/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyMNBNDRVSJZCMAK-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-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 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol (CID 114370636) is 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol is CC(CCO)SC(CO)C(N)C(C)C.
What is the InChIKey of 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol?
The InChIKey is MNBNDRVSJZCMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-7(2)10(11)9(6-13)14-8(3)4-5-12/h7-10,12-13H,4-6,11H2,1-3H3.
What are the key properties of 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol?
3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol has a molecular weight of 221.37 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol is sourced from PubChem (CID 114370636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).