N-(4-methylsulfinylphenyl)oxan-4-amine

C12H17NO2S — CID 115744084

IUPACN-(4-methylsulfinylphenyl)oxan-4-amine
SMILESCS(=O)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C12H17NO2S/c1-16(14)12-4-2-10(3-5-12)13-11-6-8-15-9-7-11/h2-5,11,13H,6-9H2,1H3
InChIKeyVMMNEQAJIVFGHO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.01
Rot. Bonds3

About N-(4-methylsulfinylphenyl)oxan-4-amine

N-(4-methylsulfinylphenyl)oxan-4-amine (PubChem CID 115744084) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(4-methylsulfinylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfinylphenyl)oxan-4-amine
PubChem CID115744084
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(4-methylsulfinylphenyl)oxan-4-amine
SMILESCS(=O)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C12H17NO2S/c1-16(14)12-4-2-10(3-5-12)13-11-6-8-15-9-7-11/h2-5,11,13H,6-9H2,1H3
InChIKeyVMMNEQAJIVFGHO-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
CID 43616833
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
4-(oxan-4-ylamino)benzonitrile
CID 43608433
N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
CID 43610408
4-N,4-N-dimethyl-1-N-(oxepan-4-yl)benzene-1,4-diamine
CID 65081872
N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 65082034
(4S)-N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 124512282
N-(3-chloro-4-ethylphenyl)oxan-4-amine
CID 118362486
N-(4-ethoxyphenyl)oxepan-4-amine
CID 65076928
4-N-(oxan-4-yl)benzene-1,2,4-triamine
CID 106750455

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfinylphenyl)oxan-4-amine?
The IUPAC name of N-(4-methylsulfinylphenyl)oxan-4-amine (CID 115744084) is N-(4-methylsulfinylphenyl)oxan-4-amine.
What is the SMILES notation for N-(4-methylsulfinylphenyl)oxan-4-amine?
The canonical SMILES for N-(4-methylsulfinylphenyl)oxan-4-amine is CS(=O)c1ccc(NC2CCOCC2)cc1.
What is the InChIKey of N-(4-methylsulfinylphenyl)oxan-4-amine?
The InChIKey is VMMNEQAJIVFGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-16(14)12-4-2-10(3-5-12)13-11-6-8-15-9-7-11/h2-5,11,13H,6-9H2,1H3.
What are the key properties of N-(4-methylsulfinylphenyl)oxan-4-amine?
N-(4-methylsulfinylphenyl)oxan-4-amine has a molecular weight of 239.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfinylphenyl)oxan-4-amine is sourced from PubChem (CID 115744084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).