N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine

C12H17NO2S — CID 115744260

IUPACN-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine
SMILESCS(=O)Cc1cccc(NC2CCOC2)c1
InChIInChI=1S/C12H17NO2S/c1-16(14)9-10-3-2-4-11(7-10)13-12-5-6-15-8-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyDKMQWQHGRCBRLC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.77
Rot. Bonds4

About N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine

N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine (PubChem CID 115744260) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine
PubChem CID115744260
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine
SMILESCS(=O)Cc1cccc(NC2CCOC2)c1
InChIInChI=1S/C12H17NO2S/c1-16(14)9-10-3-2-4-11(7-10)13-12-5-6-15-8-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyDKMQWQHGRCBRLC-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(chloromethyl)phenyl]oxolan-3-amine
CID 65023855
3-[[(R)-methylsulfinyl]methyl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]aniline
CID 129381498
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]oxan-3-amine
CID 91660373
3-(oxolan-3-ylamino)benzenesulfonamide
CID 63331778
N-(3-phenoxyphenyl)oxolan-3-amine
CID 63335044
N-(3-prop-2-enoxyphenyl)oxolan-3-amine
CID 115688918
(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
CID 98509677
N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
CID 54863387
N-methyl-2-[3-(oxolan-3-ylcarbamoylamino)phenyl]acetamide
CID 118762708
N-(4-propylphenyl)oxolan-3-amine
CID 63331785
N-(oxolan-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 63332139
N-[4-(methylsulfanylmethyl)phenyl]oxolan-3-amine
CID 115744184

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine?
The IUPAC name of N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine (CID 115744260) is N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine.
What is the SMILES notation for N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine?
The canonical SMILES for N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine is CS(=O)Cc1cccc(NC2CCOC2)c1.
What is the InChIKey of N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine?
The InChIKey is DKMQWQHGRCBRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-16(14)9-10-3-2-4-11(7-10)13-12-5-6-15-8-12/h2-4,7,12-13H,5-6,8-9H2,1H3.
What are the key properties of N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine?
N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine has a molecular weight of 239.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine is sourced from PubChem (CID 115744260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).