1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine

C13H19NO2S — CID 64657569

IUPAC1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine
SMILESCNC(CS(=O)c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C13H19NO2S/c1-14-13(10-3-4-10)9-17(15)12-7-5-11(16-2)6-8-12/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyHBSIMQICLWIRMY-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.80
Rot. Bonds6

About 1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine

1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine (PubChem CID 64657569) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine
PubChem CID64657569
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine
SMILESCNC(CS(=O)c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C13H19NO2S/c1-14-13(10-3-4-10)9-17(15)12-7-5-11(16-2)6-8-12/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyHBSIMQICLWIRMY-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 64658921
2-(4-bromophenyl)sulfinyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104754586
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 107508732
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
CID 113449619
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
N-ethyl-1-(4-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659694
(1S)-1-cyclopropyl-1-(4-methoxyphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]methanamine
CID 95973403
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine
CID 104754647
1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine
CID 104754397
1-(1-deuterio-1-protio(113C)ethyl)sulfinyl-4-methoxybenzene
CID 58500304
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine (CID 64657569) is 1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine is CNC(CS(=O)c1ccc(OC)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine?
The InChIKey is HBSIMQICLWIRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-14-13(10-3-4-10)9-17(15)12-7-5-11(16-2)6-8-12/h5-8,10,13-14H,3-4,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine?
1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine has a molecular weight of 253.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine is sourced from PubChem (CID 64657569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).