3-ethyl-1-methylsulfonylpentan-3-amine

C8H19NO2S — CID 62621091

IUPAC3-ethyl-1-methylsulfonylpentan-3-amine
SMILESCCC(N)(CC)CCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-4-8(9,5-2)6-7-12(3,10)11/h4-7,9H2,1-3H3
InChIKeyZWNLMLXVDVWDCP-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.94
Rot. Bonds5

About 3-ethyl-1-methylsulfonylpentan-3-amine

3-ethyl-1-methylsulfonylpentan-3-amine (PubChem CID 62621091) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-ethyl-1-methylsulfonylpentan-3-amine.

Molecular Properties

Compound Name3-ethyl-1-methylsulfonylpentan-3-amine
PubChem CID62621091
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3-ethyl-1-methylsulfonylpentan-3-amine
SMILESCCC(N)(CC)CCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-4-8(9,5-2)6-7-12(3,10)11/h4-7,9H2,1-3H3
InChIKeyZWNLMLXVDVWDCP-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylsulfonylpentan-3-amine?
The IUPAC name of 3-ethyl-1-methylsulfonylpentan-3-amine (CID 62621091) is 3-ethyl-1-methylsulfonylpentan-3-amine.
What is the SMILES notation for 3-ethyl-1-methylsulfonylpentan-3-amine?
The canonical SMILES for 3-ethyl-1-methylsulfonylpentan-3-amine is CCC(N)(CC)CCS(C)(=O)=O.
What is the InChIKey of 3-ethyl-1-methylsulfonylpentan-3-amine?
The InChIKey is ZWNLMLXVDVWDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-8(9,5-2)6-7-12(3,10)11/h4-7,9H2,1-3H3.
What are the key properties of 3-ethyl-1-methylsulfonylpentan-3-amine?
3-ethyl-1-methylsulfonylpentan-3-amine has a molecular weight of 193.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylsulfonylpentan-3-amine is sourced from PubChem (CID 62621091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).