3-propan-2-ylsulfanylbutan-2-amine

C7H17NS — CID 21303159

IUPAC3-propan-2-ylsulfanylbutan-2-amine
SMILESCC(C)SC(C)C(C)N
InChIInChI=1S/C7H17NS/c1-5(2)9-7(4)6(3)8/h5-7H,8H2,1-4H3
InChIKeyOGDPVERFWFLZHA-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.86
Rot. Bonds3

About 3-propan-2-ylsulfanylbutan-2-amine

3-propan-2-ylsulfanylbutan-2-amine (PubChem CID 21303159) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is 3-propan-2-ylsulfanylbutan-2-amine.

Molecular Properties

Compound Name3-propan-2-ylsulfanylbutan-2-amine
PubChem CID21303159
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name3-propan-2-ylsulfanylbutan-2-amine
SMILESCC(C)SC(C)C(C)N
InChIInChI=1S/C7H17NS/c1-5(2)9-7(4)6(3)8/h5-7H,8H2,1-4H3
InChIKeyOGDPVERFWFLZHA-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-ylsulfanylbutan-2-amine 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-propan-2-ylsulfanylbutan-2-amine?
The IUPAC name of 3-propan-2-ylsulfanylbutan-2-amine (CID 21303159) is 3-propan-2-ylsulfanylbutan-2-amine.
What is the SMILES notation for 3-propan-2-ylsulfanylbutan-2-amine?
The canonical SMILES for 3-propan-2-ylsulfanylbutan-2-amine is CC(C)SC(C)C(C)N.
What is the InChIKey of 3-propan-2-ylsulfanylbutan-2-amine?
The InChIKey is OGDPVERFWFLZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-5(2)9-7(4)6(3)8/h5-7H,8H2,1-4H3.
What are the key properties of 3-propan-2-ylsulfanylbutan-2-amine?
3-propan-2-ylsulfanylbutan-2-amine has a molecular weight of 147.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanylbutan-2-amine is sourced from PubChem (CID 21303159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).