4-methylsulfonylbutan-2-amine

C5H13NO2S — CID 23562465

IUPAC4-methylsulfonylbutan-2-amine
SMILESCC(N)CCS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(6)3-4-9(2,7)8/h5H,3-4,6H2,1-2H3
InChIKeySZDACTNQFJOYSU-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.23
Rot. Bonds3

About 4-methylsulfonylbutan-2-amine

4-methylsulfonylbutan-2-amine (PubChem CID 23562465) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 4-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name4-methylsulfonylbutan-2-amine
PubChem CID23562465
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name4-methylsulfonylbutan-2-amine
SMILESCC(N)CCS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(6)3-4-9(2,7)8/h5H,3-4,6H2,1-2H3
InChIKeySZDACTNQFJOYSU-UHFFFAOYSA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylbutan-2-amine?
The IUPAC name of 4-methylsulfonylbutan-2-amine (CID 23562465) is 4-methylsulfonylbutan-2-amine.
What is the SMILES notation for 4-methylsulfonylbutan-2-amine?
The canonical SMILES for 4-methylsulfonylbutan-2-amine is CC(N)CCS(C)(=O)=O.
What is the InChIKey of 4-methylsulfonylbutan-2-amine?
The InChIKey is SZDACTNQFJOYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(6)3-4-9(2,7)8/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-methylsulfonylbutan-2-amine?
4-methylsulfonylbutan-2-amine has a molecular weight of 151.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylbutan-2-amine is sourced from PubChem (CID 23562465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).