3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine

C14H21NO2S — CID 64905328

IUPAC3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2ccc(OC)cc2)C1C
InChIInChI=1S/C14H21NO2S/c1-10-13(15-2)8-9-14(10)18(16)12-6-4-11(17-3)5-7-12/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyRAXJKQIJASTVHH-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.19
Rot. Bonds4

About 3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine

3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine (PubChem CID 64905328) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine
PubChem CID64905328
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2ccc(OC)cc2)C1C
InChIInChI=1S/C14H21NO2S/c1-10-13(15-2)8-9-14(10)18(16)12-6-4-11(17-3)5-7-12/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyRAXJKQIJASTVHH-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine (CID 64905328) is 3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine is CNC1CCC(S(=O)c2ccc(OC)cc2)C1C.
What is the InChIKey of 3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine?
The InChIKey is RAXJKQIJASTVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-13(15-2)8-9-14(10)18(16)12-6-4-11(17-3)5-7-12/h4-7,10,13-15H,8-9H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine?
3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64905328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).