1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine

C14H30N2O2S — CID 28731265

IUPAC1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine
SMILESCCCC(CCC)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C14H30N2O2S/c1-4-7-13(8-5-2)15-14-9-11-16(12-10-14)19(17,18)6-3/h13-15H,4-12H2,1-3H3
InChIKeyLFJVFBOADHJVOI-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.36
Rot. Bonds8

About 1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine

1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine (PubChem CID 28731265) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine
PubChem CID28731265
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine
SMILESCCCC(CCC)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C14H30N2O2S/c1-4-7-13(8-5-2)15-14-9-11-16(12-10-14)19(17,18)6-3/h13-15H,4-12H2,1-3H3
InChIKeyLFJVFBOADHJVOI-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine (CID 28731265) is 1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine is CCCC(CCC)NC1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine?
The InChIKey is LFJVFBOADHJVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-4-7-13(8-5-2)15-14-9-11-16(12-10-14)19(17,18)6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine?
1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine has a molecular weight of 290.47 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine is sourced from PubChem (CID 28731265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).