2-methylsulfonylpentan-3-amine

C6H15NO2S — CID 62784392

IUPAC2-methylsulfonylpentan-3-amine
SMILESCCC(N)C(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-4-6(7)5(2)10(3,8)9/h5-6H,4,7H2,1-3H3
InChIKeyJSVYVTRBUMJKBO-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.16
Rot. Bonds3

About 2-methylsulfonylpentan-3-amine

2-methylsulfonylpentan-3-amine (PubChem CID 62784392) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-methylsulfonylpentan-3-amine.

Molecular Properties

Compound Name2-methylsulfonylpentan-3-amine
PubChem CID62784392
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name2-methylsulfonylpentan-3-amine
SMILESCCC(N)C(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-4-6(7)5(2)10(3,8)9/h5-6H,4,7H2,1-3H3
InChIKeyJSVYVTRBUMJKBO-UHFFFAOYSA-N
XLogP0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpentan-3-amine?
The IUPAC name of 2-methylsulfonylpentan-3-amine (CID 62784392) is 2-methylsulfonylpentan-3-amine.
What is the SMILES notation for 2-methylsulfonylpentan-3-amine?
The canonical SMILES for 2-methylsulfonylpentan-3-amine is CCC(N)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylpentan-3-amine?
The InChIKey is JSVYVTRBUMJKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-6(7)5(2)10(3,8)9/h5-6H,4,7H2,1-3H3.
What are the key properties of 2-methylsulfonylpentan-3-amine?
2-methylsulfonylpentan-3-amine has a molecular weight of 165.26 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpentan-3-amine is sourced from PubChem (CID 62784392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).