4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine

C16H24FNO3S — CID 75431186

IUPAC4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine
SMILESCCCS(=O)(=O)CCNC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C16H24FNO3S/c1-2-11-22(19,20)12-8-18-16(6-9-21-10-7-16)14-4-3-5-15(17)13-14/h3-5,13,18H,2,6-12H2,1H3
InChIKeyMMXIKXFUWQZNOK-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.25
Rot. Bonds7

About 4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine

4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine (PubChem CID 75431186) has the molecular formula C16H24FNO3S and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine
PubChem CID75431186
Molecular FormulaC16H24FNO3S
Molecular Weight329.44 g/mol
Exact Mass329.15
IUPAC Name4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine
SMILESCCCS(=O)(=O)CCNC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C16H24FNO3S/c1-2-11-22(19,20)12-8-18-16(6-9-21-10-7-16)14-4-3-5-15(17)13-14/h3-5,13,18H,2,6-12H2,1H3
InChIKeyMMXIKXFUWQZNOK-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
CID 86839214
N-[4-(3-fluorophenyl)oxan-4-yl]formamide
CID 175327323
1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide
CID 154741090
4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
CID 119342225
N-[4-(3-fluorophenyl)oxan-4-yl]furan-3-carboxamide
CID 71993760
N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
CID 127266166
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 99819235
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
2-[2-[[1-(3-methylphenyl)cyclopentyl]amino]ethylsulfonyl]acetic acid
CID 122099711
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976524
1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111225762
1-ethyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-propylguanidine
CID 111227997

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine?
The IUPAC name of 4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine (CID 75431186) is 4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine?
The canonical SMILES for 4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine is CCCS(=O)(=O)CCNC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine?
The InChIKey is MMXIKXFUWQZNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3S/c1-2-11-22(19,20)12-8-18-16(6-9-21-10-7-16)14-4-3-5-15(17)13-14/h3-5,13,18H,2,6-12H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine?
4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine has a molecular weight of 329.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine is sourced from PubChem (CID 75431186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).