4-ethylsulfanylbutan-2-amine

C6H15NS — CID 23551742

IUPAC4-ethylsulfanylbutan-2-amine
SMILESCCSCCC(C)N
InChIInChI=1S/C6H15NS/c1-3-8-5-4-6(2)7/h6H,3-5,7H2,1-2H3
InChIKeyRGUYXDCADZIQEO-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.48
Rot. Bonds4

About 4-ethylsulfanylbutan-2-amine

4-ethylsulfanylbutan-2-amine (PubChem CID 23551742) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 4-ethylsulfanylbutan-2-amine.

Molecular Properties

Compound Name4-ethylsulfanylbutan-2-amine
PubChem CID23551742
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name4-ethylsulfanylbutan-2-amine
SMILESCCSCCC(C)N
InChIInChI=1S/C6H15NS/c1-3-8-5-4-6(2)7/h6H,3-5,7H2,1-2H3
InChIKeyRGUYXDCADZIQEO-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanylbutan-2-amine?
The IUPAC name of 4-ethylsulfanylbutan-2-amine (CID 23551742) is 4-ethylsulfanylbutan-2-amine.
What is the SMILES notation for 4-ethylsulfanylbutan-2-amine?
The canonical SMILES for 4-ethylsulfanylbutan-2-amine is CCSCCC(C)N.
What is the InChIKey of 4-ethylsulfanylbutan-2-amine?
The InChIKey is RGUYXDCADZIQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-3-8-5-4-6(2)7/h6H,3-5,7H2,1-2H3.
What are the key properties of 4-ethylsulfanylbutan-2-amine?
4-ethylsulfanylbutan-2-amine has a molecular weight of 133.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanylbutan-2-amine is sourced from PubChem (CID 23551742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).