2-ethyl-2-methylsulfonylbutan-1-amine

C7H17NO2S — CID 56828540

IUPAC2-ethyl-2-methylsulfonylbutan-1-amine
SMILESCCC(CC)(CN)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-7(5-2,6-8)11(3,9)10/h4-6,8H2,1-3H3
InChIKeyMRVFJNVEYZQCKW-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.55
Rot. Bonds4

About 2-ethyl-2-methylsulfonylbutan-1-amine

2-ethyl-2-methylsulfonylbutan-1-amine (PubChem CID 56828540) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-ethyl-2-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methylsulfonylbutan-1-amine
PubChem CID56828540
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2-ethyl-2-methylsulfonylbutan-1-amine
SMILESCCC(CC)(CN)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-7(5-2,6-8)11(3,9)10/h4-6,8H2,1-3H3
InChIKeyMRVFJNVEYZQCKW-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylsulfonylbutan-1-amine?
The IUPAC name of 2-ethyl-2-methylsulfonylbutan-1-amine (CID 56828540) is 2-ethyl-2-methylsulfonylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methylsulfonylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-methylsulfonylbutan-1-amine is CCC(CC)(CN)S(C)(=O)=O.
What is the InChIKey of 2-ethyl-2-methylsulfonylbutan-1-amine?
The InChIKey is MRVFJNVEYZQCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-7(5-2,6-8)11(3,9)10/h4-6,8H2,1-3H3.
What are the key properties of 2-ethyl-2-methylsulfonylbutan-1-amine?
2-ethyl-2-methylsulfonylbutan-1-amine has a molecular weight of 179.28 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylsulfonylbutan-1-amine is sourced from PubChem (CID 56828540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).