5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine

C14H21NO2S — CID 79862214

IUPAC5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
SMILESCOc1ccccc1S(=O)C1CCC(C)(C)C1N
InChIInChI=1S/C14H21NO2S/c1-14(2)9-8-12(13(14)15)18(16)11-7-5-4-6-10(11)17-3/h4-7,12-13H,8-9,15H2,1-3H3
InChIKeyZKMJZWOOINEFQG-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.32
Rot. Bonds3

About 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine

5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79862214) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79862214
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
SMILESCOc1ccccc1S(=O)C1CCC(C)(C)C1N
InChIInChI=1S/C14H21NO2S/c1-14(2)9-8-12(13(14)15)18(16)11-7-5-4-6-10(11)17-3/h4-7,12-13H,8-9,15H2,1-3H3
InChIKeyZKMJZWOOINEFQG-UHFFFAOYSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine (CID 79862214) is 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine is COc1ccccc1S(=O)C1CCC(C)(C)C1N.
What is the InChIKey of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is ZKMJZWOOINEFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2)9-8-12(13(14)15)18(16)11-7-5-4-6-10(11)17-3/h4-7,12-13H,8-9,15H2,1-3H3.
What are the key properties of 5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine?
5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.32, 3 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-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79862214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).