4-methylsulfonylpentan-2-amine

C6H15NO2S — CID 64703768

IUPAC4-methylsulfonylpentan-2-amine
SMILESCC(N)CC(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-5(7)4-6(2)10(3,8)9/h5-6H,4,7H2,1-3H3
InChIKeyGIQGWNKJWLFDGC-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.16
Rot. Bonds3

About 4-methylsulfonylpentan-2-amine

4-methylsulfonylpentan-2-amine (PubChem CID 64703768) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 4-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name4-methylsulfonylpentan-2-amine
PubChem CID64703768
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name4-methylsulfonylpentan-2-amine
SMILESCC(N)CC(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-5(7)4-6(2)10(3,8)9/h5-6H,4,7H2,1-3H3
InChIKeyGIQGWNKJWLFDGC-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 4-methylsulfonylpentan-2-amine?
The IUPAC name of 4-methylsulfonylpentan-2-amine (CID 64703768) is 4-methylsulfonylpentan-2-amine.
What is the SMILES notation for 4-methylsulfonylpentan-2-amine?
The canonical SMILES for 4-methylsulfonylpentan-2-amine is CC(N)CC(C)S(C)(=O)=O.
What is the InChIKey of 4-methylsulfonylpentan-2-amine?
The InChIKey is GIQGWNKJWLFDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-5(7)4-6(2)10(3,8)9/h5-6H,4,7H2,1-3H3.
What are the key properties of 4-methylsulfonylpentan-2-amine?
4-methylsulfonylpentan-2-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 4-methylsulfonylpentan-2-amine is sourced from PubChem (CID 64703768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).