2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol

C9H21NO3S — CID 62517259

IUPAC2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol
SMILESCCC(CC)(CO)NCCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-4-9(5-2,8-11)10-6-7-14(3,12)13/h10-11H,4-8H2,1-3H3
InChIKeyQMNFZYBBPQYJJO-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.17
Rot. Bonds7

About 2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol

2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol (PubChem CID 62517259) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol
PubChem CID62517259
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol
SMILESCCC(CC)(CO)NCCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-4-9(5-2,8-11)10-6-7-14(3,12)13/h10-11H,4-8H2,1-3H3
InChIKeyQMNFZYBBPQYJJO-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol (CID 62517259) is 2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol is CCC(CC)(CO)NCCS(C)(=O)=O.
What is the InChIKey of 2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol?
The InChIKey is QMNFZYBBPQYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-9(5-2,8-11)10-6-7-14(3,12)13/h10-11H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol?
2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol has a molecular weight of 223.34 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol is sourced from PubChem (CID 62517259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).