(2R)-1-butylsulfanylpropan-2-amine

C7H17NS — CID 91506443

IUPAC(2R)-1-butylsulfanylpropan-2-amine
SMILESCCCCSC[C@@H](C)N
InChIInChI=1S/C7H17NS/c1-3-4-5-9-6-7(2)8/h7H,3-6,8H2,1-2H3/t7-/m1/s1
InChIKeyFQSOSFMEQHSPIQ-SSDOTTSWSA-N
MW147.29 g/mol
LogP1.87
Rot. Bonds5

About (2R)-1-butylsulfanylpropan-2-amine

(2R)-1-butylsulfanylpropan-2-amine (PubChem CID 91506443) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is (2R)-1-butylsulfanylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-butylsulfanylpropan-2-amine
PubChem CID91506443
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name(2R)-1-butylsulfanylpropan-2-amine
SMILESCCCCSC[C@@H](C)N
InChIInChI=1S/C7H17NS/c1-3-4-5-9-6-7(2)8/h7H,3-6,8H2,1-2H3/t7-/m1/s1
InChIKeyFQSOSFMEQHSPIQ-SSDOTTSWSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-1-butylsulfanylpropan-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 (2R)-1-butylsulfanylpropan-2-amine?
The IUPAC name of (2R)-1-butylsulfanylpropan-2-amine (CID 91506443) is (2R)-1-butylsulfanylpropan-2-amine.
What is the SMILES notation for (2R)-1-butylsulfanylpropan-2-amine?
The canonical SMILES for (2R)-1-butylsulfanylpropan-2-amine is CCCCSC[C@@H](C)N.
What is the InChIKey of (2R)-1-butylsulfanylpropan-2-amine?
The InChIKey is FQSOSFMEQHSPIQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NS/c1-3-4-5-9-6-7(2)8/h7H,3-6,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-butylsulfanylpropan-2-amine?
(2R)-1-butylsulfanylpropan-2-amine has a molecular weight of 147.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butylsulfanylpropan-2-amine is sourced from PubChem (CID 91506443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).