N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine

C16H25NOS — CID 64656783

IUPACN-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
SMILESCCNC1CCCCCC1S(=O)c1ccccc1C
InChIInChI=1S/C16H25NOS/c1-3-17-14-10-5-4-6-12-16(14)19(18)15-11-8-7-9-13(15)2/h7-9,11,14,16-17H,3-6,10,12H2,1-2H3
InChIKeyPWOMKMSHUFXRQG-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.41
Rot. Bonds4

About N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine

N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine (PubChem CID 64656783) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
PubChem CID64656783
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
SMILESCCNC1CCCCCC1S(=O)c1ccccc1C
InChIInChI=1S/C16H25NOS/c1-3-17-14-10-5-4-6-12-16(14)19(18)15-11-8-7-9-13(15)2/h7-9,11,14,16-17H,3-6,10,12H2,1-2H3
InChIKeyPWOMKMSHUFXRQG-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64655368
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine
CID 81328475
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
N-ethyl-2-thiophen-2-ylsulfinylcycloheptan-1-amine
CID 64651144
4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656382
2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine
CID 64654965
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64658723
N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658404
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64657347
2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64659873

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine (CID 64656783) is N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine is CCNC1CCCCCC1S(=O)c1ccccc1C.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine?
The InChIKey is PWOMKMSHUFXRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-17-14-10-5-4-6-12-16(14)19(18)15-11-8-7-9-13(15)2/h7-9,11,14,16-17H,3-6,10,12H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine?
N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.41, 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-methylphenyl)sulfinylcycloheptan-1-amine is sourced from PubChem (CID 64656783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).