3-ethylsulfonyl-N-methylbutan-2-amine

C7H17NO2S — CID 64645580

IUPAC3-ethylsulfonyl-N-methylbutan-2-amine
SMILESCCS(=O)(=O)C(C)C(C)NC
InChIInChI=1S/C7H17NO2S/c1-5-11(9,10)7(3)6(2)8-4/h6-8H,5H2,1-4H3
InChIKeyRYBZYFSROCEINC-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.42
Rot. Bonds4

About 3-ethylsulfonyl-N-methylbutan-2-amine

3-ethylsulfonyl-N-methylbutan-2-amine (PubChem CID 64645580) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-methylbutan-2-amine
PubChem CID64645580
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name3-ethylsulfonyl-N-methylbutan-2-amine
SMILESCCS(=O)(=O)C(C)C(C)NC
InChIInChI=1S/C7H17NO2S/c1-5-11(9,10)7(3)6(2)8-4/h6-8H,5H2,1-4H3
InChIKeyRYBZYFSROCEINC-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-methylbutan-2-amine?
The IUPAC name of 3-ethylsulfonyl-N-methylbutan-2-amine (CID 64645580) is 3-ethylsulfonyl-N-methylbutan-2-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-methylbutan-2-amine?
The canonical SMILES for 3-ethylsulfonyl-N-methylbutan-2-amine is CCS(=O)(=O)C(C)C(C)NC.
What is the InChIKey of 3-ethylsulfonyl-N-methylbutan-2-amine?
The InChIKey is RYBZYFSROCEINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-11(9,10)7(3)6(2)8-4/h6-8H,5H2,1-4H3.
What are the key properties of 3-ethylsulfonyl-N-methylbutan-2-amine?
3-ethylsulfonyl-N-methylbutan-2-amine has a molecular weight of 179.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-methylbutan-2-amine is sourced from PubChem (CID 64645580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).