5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine

C17H27NO2S — CID 79866209

IUPAC5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)c2ccccc2OC)CCC1(C)C
InChIInChI=1S/C17H27NO2S/c1-5-12-18-16-15(10-11-17(16,2)3)21(19)14-9-7-6-8-13(14)20-4/h6-9,15-16,18H,5,10-12H2,1-4H3
InChIKeyJCWHUYJIPRCFGQ-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.36
Rot. Bonds6

About 5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine

5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 79866209) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID79866209
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)c2ccccc2OC)CCC1(C)C
InChIInChI=1S/C17H27NO2S/c1-5-12-18-16-15(10-11-17(16,2)3)21(19)14-9-7-6-8-13(14)20-4/h6-9,15-16,18H,5,10-12H2,1-4H3
InChIKeyJCWHUYJIPRCFGQ-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862922
5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 79862214
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866348
2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide
CID 114232022
2-(2-methoxyphenyl)sulfinyl-4-propylcyclohexane-1-carbonitrile
CID 64690027
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242
5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 107656973
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
3-(2-methoxyphenyl)sulfinyloxan-4-amine
CID 64659409
2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107760677
N-ethyl-2,2-dimethyl-5-methylsulfinylcyclopentan-1-amine
CID 79862329

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 79866209) is 5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(S(=O)c2ccccc2OC)CCC1(C)C.
What is the InChIKey of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is JCWHUYJIPRCFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-5-12-18-16-15(10-11-17(16,2)3)21(19)14-9-7-6-8-13(14)20-4/h6-9,15-16,18H,5,10-12H2,1-4H3.
What are the key properties of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79866209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).