6-ethylsulfonylhexan-3-amine

C8H19NO2S — CID 61057577

IUPAC6-ethylsulfonylhexan-3-amine
SMILESCCC(N)CCCS(=O)(=O)CC
InChIInChI=1S/C8H19NO2S/c1-3-8(9)6-5-7-12(10,11)4-2/h8H,3-7,9H2,1-2H3
InChIKeyRDEGDCMEYBUHEC-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.94
Rot. Bonds6

About 6-ethylsulfonylhexan-3-amine

6-ethylsulfonylhexan-3-amine (PubChem CID 61057577) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 6-ethylsulfonylhexan-3-amine.

Molecular Properties

Compound Name6-ethylsulfonylhexan-3-amine
PubChem CID61057577
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name6-ethylsulfonylhexan-3-amine
SMILESCCC(N)CCCS(=O)(=O)CC
InChIInChI=1S/C8H19NO2S/c1-3-8(9)6-5-7-12(10,11)4-2/h8H,3-7,9H2,1-2H3
InChIKeyRDEGDCMEYBUHEC-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 6-ethylsulfonylhexan-3-amine?
The IUPAC name of 6-ethylsulfonylhexan-3-amine (CID 61057577) is 6-ethylsulfonylhexan-3-amine.
What is the SMILES notation for 6-ethylsulfonylhexan-3-amine?
The canonical SMILES for 6-ethylsulfonylhexan-3-amine is CCC(N)CCCS(=O)(=O)CC.
What is the InChIKey of 6-ethylsulfonylhexan-3-amine?
The InChIKey is RDEGDCMEYBUHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-3-8(9)6-5-7-12(10,11)4-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 6-ethylsulfonylhexan-3-amine?
6-ethylsulfonylhexan-3-amine has a molecular weight of 193.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonylhexan-3-amine is sourced from PubChem (CID 61057577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).