3-methyl-2-methylsulfanylbutan-2-amine

C6H15NS — CID 146253361

IUPAC3-methyl-2-methylsulfanylbutan-2-amine
SMILESCSC(C)(N)C(C)C
InChIInChI=1S/C6H15NS/c1-5(2)6(3,7)8-4/h5H,7H2,1-4H3
InChIKeyNEYTVZSYCPXOSZ-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.68
Rot. Bonds2

About 3-methyl-2-methylsulfanylbutan-2-amine

3-methyl-2-methylsulfanylbutan-2-amine (PubChem CID 146253361) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-2-methylsulfanylbutan-2-amine
PubChem CID146253361
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name3-methyl-2-methylsulfanylbutan-2-amine
SMILESCSC(C)(N)C(C)C
InChIInChI=1S/C6H15NS/c1-5(2)6(3,7)8-4/h5H,7H2,1-4H3
InChIKeyNEYTVZSYCPXOSZ-UHFFFAOYSA-N
XLogP1.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanylbutan-2-amine?
The IUPAC name of 3-methyl-2-methylsulfanylbutan-2-amine (CID 146253361) is 3-methyl-2-methylsulfanylbutan-2-amine.
What is the SMILES notation for 3-methyl-2-methylsulfanylbutan-2-amine?
The canonical SMILES for 3-methyl-2-methylsulfanylbutan-2-amine is CSC(C)(N)C(C)C.
What is the InChIKey of 3-methyl-2-methylsulfanylbutan-2-amine?
The InChIKey is NEYTVZSYCPXOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-5(2)6(3,7)8-4/h5H,7H2,1-4H3.
What are the key properties of 3-methyl-2-methylsulfanylbutan-2-amine?
3-methyl-2-methylsulfanylbutan-2-amine has a molecular weight of 133.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanylbutan-2-amine is sourced from PubChem (CID 146253361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).