N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine

C16H25NOS — CID 64658404

IUPACN-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1S(=O)Cc1cccc(C)c1
InChIInChI=1S/C16H25NOS/c1-3-17-15-9-4-5-10-16(15)19(18)12-14-8-6-7-13(2)11-14/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3
InChIKeyAHZOKNMBGMFWCT-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.16
Rot. Bonds5

About N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine

N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine (PubChem CID 64658404) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
PubChem CID64658404
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1S(=O)Cc1cccc(C)c1
InChIInChI=1S/C16H25NOS/c1-3-17-15-9-4-5-10-16(15)19(18)12-14-8-6-7-13(2)11-14/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3
InChIKeyAHZOKNMBGMFWCT-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methylsulfinyl]cycloheptane-1-carbonitrile
CID 64690852
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
2-benzylsulfinyl-N-methylcyclooctan-1-amine
CID 64658739
N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64656783
2-benzylsulfinyl-N-methylcyclopentan-1-amine
CID 64658738
N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656639
N-ethyl-2-thiophen-2-ylsulfinylcycloheptan-1-amine
CID 64651144
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 129434882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine (CID 64658404) is N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine is CCNC1CCCCC1S(=O)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The InChIKey is AHZOKNMBGMFWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-17-15-9-4-5-10-16(15)19(18)12-14-8-6-7-13(2)11-14/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3.
What are the key properties of N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine is sourced from PubChem (CID 64658404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).