5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine

C11H23NO3S — CID 65095844

IUPAC5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)CC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-2-16(13,14)8-4-5-10(12)9-11-6-3-7-15-11/h10-11H,2-9,12H2,1H3
InChIKeyIANQNRRDVUPUSW-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.10
Rot. Bonds7

About 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine

5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine (PubChem CID 65095844) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine
PubChem CID65095844
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)CC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-2-16(13,14)8-4-5-10(12)9-11-6-3-7-15-11/h10-11H,2-9,12H2,1H3
InChIKeyIANQNRRDVUPUSW-UHFFFAOYSA-N
XLogP1.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine (CID 65095844) is 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine is CCS(=O)(=O)CCCC(N)CC1CCCO1.
What is the InChIKey of 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine?
The InChIKey is IANQNRRDVUPUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-16(13,14)8-4-5-10(12)9-11-6-3-7-15-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine?
5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 65095844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).