2-ethylsulfonyl-N-methylbutan-1-amine

C7H17NO2S — CID 117037840

IUPAC2-ethylsulfonyl-N-methylbutan-1-amine
SMILESCCC(CNC)S(=O)(=O)CC
InChIInChI=1S/C7H17NO2S/c1-4-7(6-8-3)11(9,10)5-2/h7-8H,4-6H2,1-3H3
InChIKeyKVUVGAVEWCVWBD-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.42
Rot. Bonds5

About 2-ethylsulfonyl-N-methylbutan-1-amine

2-ethylsulfonyl-N-methylbutan-1-amine (PubChem CID 117037840) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-methylbutan-1-amine
PubChem CID117037840
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2-ethylsulfonyl-N-methylbutan-1-amine
SMILESCCC(CNC)S(=O)(=O)CC
InChIInChI=1S/C7H17NO2S/c1-4-7(6-8-3)11(9,10)5-2/h7-8H,4-6H2,1-3H3
InChIKeyKVUVGAVEWCVWBD-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 2-ethylsulfonyl-N-methylbutan-1-amine?
The IUPAC name of 2-ethylsulfonyl-N-methylbutan-1-amine (CID 117037840) is 2-ethylsulfonyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethylsulfonyl-N-methylbutan-1-amine?
The canonical SMILES for 2-ethylsulfonyl-N-methylbutan-1-amine is CCC(CNC)S(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfonyl-N-methylbutan-1-amine?
The InChIKey is KVUVGAVEWCVWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-7(6-8-3)11(9,10)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-N-methylbutan-1-amine?
2-ethylsulfonyl-N-methylbutan-1-amine has a molecular weight of 179.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-methylbutan-1-amine is sourced from PubChem (CID 117037840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).