(2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine

C11H17NO2S — CID 70331575

IUPAC(2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-9(2)11(12)8-15(13,14)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1
InChIKeyXEHWENDQVNHLIK-LLVKDONJSA-N
MW227.33 g/mol
LogP1.44
Rot. Bonds4

About (2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine

(2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine (PubChem CID 70331575) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine
PubChem CID70331575
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name(2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-9(2)11(12)8-15(13,14)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1
InChIKeyXEHWENDQVNHLIK-LLVKDONJSA-N
XLogP1.44
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine (CID 70331575) is (2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine is CC(C)[C@H](N)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine?
The InChIKey is XEHWENDQVNHLIK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(2)11(12)8-15(13,14)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine?
(2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine has a molecular weight of 227.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-3-methylbutan-2-amine is sourced from PubChem (CID 70331575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).