3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine

C12H25NO3S — CID 103914759

IUPAC3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCS(=O)(=O)CCCNC(C)C1CCOCC1
InChIInChI=1S/C12H25NO3S/c1-3-17(14,15)10-4-7-13-11(2)12-5-8-16-9-6-12/h11-13H,3-10H2,1-2H3
InChIKeyLSLIHKOMWIPZEG-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.22
Rot. Bonds7

About 3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine

3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 103914759) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID103914759
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCS(=O)(=O)CCCNC(C)C1CCOCC1
InChIInChI=1S/C12H25NO3S/c1-3-17(14,15)10-4-7-13-11(2)12-5-8-16-9-6-12/h11-13H,3-10H2,1-2H3
InChIKeyLSLIHKOMWIPZEG-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
CID 103902201
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide
CID 114142621
N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
CID 81395595
4-ethylsulfonyl-N-methyl-1-(oxan-4-yl)butan-1-amine
CID 65334809
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191053
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
3-ethoxy-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115704257

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of 3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine (CID 103914759) is 3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine is CCS(=O)(=O)CCCNC(C)C1CCOCC1.
What is the InChIKey of 3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is LSLIHKOMWIPZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-17(14,15)10-4-7-13-11(2)12-5-8-16-9-6-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine?
3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103914759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).