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

C15H23NOS — CID 79863463

IUPAC5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
SMILESCc1ccc(C)c(S(=O)C2CCC(C)(C)C2N)c1
InChIInChI=1S/C15H23NOS/c1-10-5-6-11(2)13(9-10)18(17)12-7-8-15(3,4)14(12)16/h5-6,9,12,14H,7-8,16H2,1-4H3
InChIKeyQQJJYIIZVITXQX-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.93
Rot. Bonds2

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

5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79863463) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79863463
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
SMILESCc1ccc(C)c(S(=O)C2CCC(C)(C)C2N)c1
InChIInChI=1S/C15H23NOS/c1-10-5-6-11(2)13(9-10)18(17)12-7-8-15(3,4)14(12)16/h5-6,9,12,14H,7-8,16H2,1-4H3
InChIKeyQQJJYIIZVITXQX-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methoxyphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 79862214
[2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine
CID 81328814
2-(2,5-dimethylphenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64660066
5-(3-chloro-4-fluorophenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 115477293
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
2-(2,4-dimethylphenyl)sulfinyl-4-methylcyclohexan-1-amine
CID 64658119
6-(2,4-dimethylphenyl)sulfinyl-N,2,2-trimethylcyclohexan-1-amine
CID 79847053
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64658120
1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene
CID 165348232
2-(2,5-dimethylphenyl)sulfinyl-4-propylcyclohexane-1-carbonitrile
CID 64691075
2-(cyclopropylmethylsulfinyl)-4-methylaniline
CID 81183554

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine (CID 79863463) is 5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine is Cc1ccc(C)c(S(=O)C2CCC(C)(C)C2N)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is QQJJYIIZVITXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-10-5-6-11(2)13(9-10)18(17)12-7-8-15(3,4)14(12)16/h5-6,9,12,14H,7-8,16H2,1-4H3.
What are the key properties of 5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine?
5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79863463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).