1-ethylsulfonylpropan-2-amine

C5H13NO2S — CID 54593158

IUPAC1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)N
InChIInChI=1S/C5H13NO2S/c1-3-9(7,8)4-5(2)6/h5H,3-4,6H2,1-2H3
InChIKeyLPPRTXBLLYOZFW-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.23
Rot. Bonds3

About 1-ethylsulfonylpropan-2-amine

1-ethylsulfonylpropan-2-amine (PubChem CID 54593158) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonylpropan-2-amine
PubChem CID54593158
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name1-ethylsulfonylpropan-2-amine
SMILESCCS(=O)(=O)CC(C)N
InChIInChI=1S/C5H13NO2S/c1-3-9(7,8)4-5(2)6/h5H,3-4,6H2,1-2H3
InChIKeyLPPRTXBLLYOZFW-UHFFFAOYSA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpropan-2-amine?
The IUPAC name of 1-ethylsulfonylpropan-2-amine (CID 54593158) is 1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for 1-ethylsulfonylpropan-2-amine?
The canonical SMILES for 1-ethylsulfonylpropan-2-amine is CCS(=O)(=O)CC(C)N.
What is the InChIKey of 1-ethylsulfonylpropan-2-amine?
The InChIKey is LPPRTXBLLYOZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-3-9(7,8)4-5(2)6/h5H,3-4,6H2,1-2H3.
What are the key properties of 1-ethylsulfonylpropan-2-amine?
1-ethylsulfonylpropan-2-amine has a molecular weight of 151.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 54593158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).