2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine

C13H19NO2S — CID 64658344

IUPAC2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine
SMILESCOc1ccc(S(=O)C2CCCCC2N)cc1
InChIInChI=1S/C13H19NO2S/c1-16-10-6-8-11(9-7-10)17(15)13-5-3-2-4-12(13)14/h6-9,12-13H,2-5,14H2,1H3
InChIKeyUPROQPAJXRNXIA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.07
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine

2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine (PubChem CID 64658344) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine
PubChem CID64658344
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine
SMILESCOc1ccc(S(=O)C2CCCCC2N)cc1
InChIInChI=1S/C13H19NO2S/c1-16-10-6-8-11(9-7-10)17(15)13-5-3-2-4-12(13)14/h6-9,12-13H,2-5,14H2,1H3
InChIKeyUPROQPAJXRNXIA-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine
CID 64657571
3-(4-methoxyphenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine
CID 64905328
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
CID 113449619
1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
bis[2-(4-methoxyphenoxy)cyclohexyl] sulfite
CID 175228678
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845
cyclohexyl-(4-methoxyphenoxy)-dimethylsilane
CID 532618
2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine
CID 64657292
N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
CID 63257730
cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine
CID 124745453
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine (CID 64658344) is 2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine is COc1ccc(S(=O)C2CCCCC2N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine?
The InChIKey is UPROQPAJXRNXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-16-10-6-8-11(9-7-10)17(15)13-5-3-2-4-12(13)14/h6-9,12-13H,2-5,14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine?
2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine is sourced from PubChem (CID 64658344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).