2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol

C9H21NOS — CID 107764744

IUPAC2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol
SMILESCC(C)C(C)SCCC(N)CO
InChIInChI=1S/C9H21NOS/c1-7(2)8(3)12-5-4-9(10)6-11/h7-9,11H,4-6,10H2,1-3H3
InChIKeyVPAOZNZXOWEIPC-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.47
Rot. Bonds6

About 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol

2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol (PubChem CID 107764744) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol
PubChem CID107764744
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol
SMILESCC(C)C(C)SCCC(N)CO
InChIInChI=1S/C9H21NOS/c1-7(2)8(3)12-5-4-9(10)6-11/h7-9,11H,4-6,10H2,1-3H3
InChIKeyVPAOZNZXOWEIPC-UHFFFAOYSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-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 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol (CID 107764744) is 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol is CC(C)C(C)SCCC(N)CO.
What is the InChIKey of 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol?
The InChIKey is VPAOZNZXOWEIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-7(2)8(3)12-5-4-9(10)6-11/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol?
2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol has a molecular weight of 191.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methylbutan-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 107764744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).