N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine

C11H23NO2S — CID 115720867

IUPACN-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine
SMILESCC(CC1CCOCC1)NCCS(C)=O
InChIInChI=1S/C11H23NO2S/c1-10(12-5-8-15(2)13)9-11-3-6-14-7-4-11/h10-12H,3-9H2,1-2H3
InChIKeyQSBFMOKHDKBJCY-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.16
Rot. Bonds6

About N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine

N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine (PubChem CID 115720867) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine
PubChem CID115720867
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine
SMILESCC(CC1CCOCC1)NCCS(C)=O
InChIInChI=1S/C11H23NO2S/c1-10(12-5-8-15(2)13)9-11-3-6-14-7-4-11/h10-12H,3-9H2,1-2H3
InChIKeyQSBFMOKHDKBJCY-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(3-methylsulfinylpropyl)propan-2-amine
CID 115721005
4-methylsulfinyl-N-[4-(oxan-4-yl)butyl]butan-2-amine
CID 114191114
4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine
CID 115720838
(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine
CID 90382614
N-[1-(oxan-4-yl)propan-2-yl]cyclopentanamine
CID 115704973
N-(1-cyclopropylpropan-2-yl)oxan-4-amine
CID 63989117
N-(3-methylsulfinylpropyl)oxan-4-amine
CID 115654136
2-methyl-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62529489
1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine
CID 115727743
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine
CID 115721085

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine?
The IUPAC name of N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine (CID 115720867) is N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine?
The canonical SMILES for N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine is CC(CC1CCOCC1)NCCS(C)=O.
What is the InChIKey of N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine?
The InChIKey is QSBFMOKHDKBJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(12-5-8-15(2)13)9-11-3-6-14-7-4-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine?
N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine has a molecular weight of 233.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 115720867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).