N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine

C16H25NOS — CID 79862828

IUPACN-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
SMILESCCNC1C(S(=O)c2ccccc2C)CCC1(C)C
InChIInChI=1S/C16H25NOS/c1-5-17-15-14(10-11-16(15,3)4)19(18)13-9-7-6-8-12(13)2/h6-9,14-15,17H,5,10-11H2,1-4H3
InChIKeyWHWHOBWOLRIMBS-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.27
Rot. Bonds4

About N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine (PubChem CID 79862828) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
PubChem CID79862828
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
SMILESCCNC1C(S(=O)c2ccccc2C)CCC1(C)C
InChIInChI=1S/C16H25NOS/c1-5-17-15-14(10-11-16(15,3)4)19(18)13-9-7-6-8-12(13)2/h6-9,14-15,17H,5,10-11H2,1-4H3
InChIKeyWHWHOBWOLRIMBS-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862922
N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64656783
5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866209
N-ethyl-2,2-dimethyl-5-methylsulfinylcyclopentan-1-amine
CID 79862329
N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine
CID 79847405
5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 114792164
N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64655368
5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863357
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine
CID 79863622
N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
CID 107759913
5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866348

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine (CID 79862828) is N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine is CCNC1C(S(=O)c2ccccc2C)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine?
The InChIKey is WHWHOBWOLRIMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-5-17-15-14(10-11-16(15,3)4)19(18)13-9-7-6-8-12(13)2/h6-9,14-15,17H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.27, 4 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)sulfinylcyclopentan-1-amine is sourced from PubChem (CID 79862828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).