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

C17H27NS — CID 79863622

IUPACN-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine
SMILESCCNC1C(SCc2ccccc2C)CCC1(C)C
InChIInChI=1S/C17H27NS/c1-5-18-16-15(10-11-17(16,3)4)19-12-14-9-7-6-8-13(14)2/h6-9,15-16,18H,5,10-12H2,1-4H3
InChIKeyVRIMJWXEQBRSHZ-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.39
Rot. Bonds5

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

N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine (PubChem CID 79863622) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine
PubChem CID79863622
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine
SMILESCCNC1C(SCc2ccccc2C)CCC1(C)C
InChIInChI=1S/C17H27NS/c1-5-18-16-15(10-11-17(16,3)4)19-12-14-9-7-6-8-13(14)2/h6-9,15-16,18H,5,10-12H2,1-4H3
InChIKeyVRIMJWXEQBRSHZ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 79841962
5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine
CID 103290988
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634391
1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexane-1-carbonitrile
CID 79636099
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol
CID 102735724
N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine
CID 79866369
N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine
CID 79862977
5-butan-2-ylsulfanyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863499
N-methyl-3-[(2-methylphenyl)methylsulfanyl]oxan-4-amine
CID 64634212
2-[(2-methylphenyl)methylsulfanyl]cycloheptane-1-carbonitrile
CID 62769994

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine (CID 79863622) is N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine is CCNC1C(SCc2ccccc2C)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine?
The InChIKey is VRIMJWXEQBRSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-5-18-16-15(10-11-17(16,3)4)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)methylsulfanyl]cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.39, 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)methylsulfanyl]cyclopentan-1-amine is sourced from PubChem (CID 79863622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).