N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine

C17H27NOS — CID 79863138

IUPACN-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
SMILESCCNC1C(S(=O)Cc2ccccc2C)CCC1(C)C
InChIInChI=1S/C17H27NOS/c1-5-18-16-15(10-11-17(16,3)4)20(19)12-14-9-7-6-8-13(14)2/h6-9,15-16,18H,5,10-12H2,1-4H3
InChIKeyXQXUOUCDVKHTQU-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.41
Rot. Bonds5

About N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine (PubChem CID 79863138) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
PubChem CID79863138
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
SMILESCCNC1C(S(=O)Cc2ccccc2C)CCC1(C)C
InChIInChI=1S/C17H27NOS/c1-5-18-16-15(10-11-17(16,3)4)20(19)12-14-9-7-6-8-13(14)2/h6-9,15-16,18H,5,10-12H2,1-4H3
InChIKeyXQXUOUCDVKHTQU-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine
CID 79863622
N-ethyl-2,2-dimethyl-5-methylsulfinylcyclopentan-1-amine
CID 79862329
N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
CID 107759913
5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863357
[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine
CID 81333753
4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658995
N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine
CID 79847405
5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866209
4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64657822
3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one
CID 64724919
2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 79841962

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine (CID 79863138) is N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine is CCNC1C(S(=O)Cc2ccccc2C)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine?
The InChIKey is XQXUOUCDVKHTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-5-18-16-15(10-11-17(16,3)4)20(19)12-14-9-7-6-8-13(14)2/h6-9,15-16,18H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine is sourced from PubChem (CID 79863138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).