N-cyclohexyl-3-methylsulfinylaniline

C13H19NOS — CID 115744089

IUPACN-cyclohexyl-3-methylsulfinylaniline
SMILESCS(=O)c1cccc(NC2CCCCC2)c1
InChIInChI=1S/C13H19NOS/c1-16(15)13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h5,8-11,14H,2-4,6-7H2,1H3
InChIKeyZIUIGKFBGMDWFQ-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.17
Rot. Bonds3

About N-cyclohexyl-3-methylsulfinylaniline

N-cyclohexyl-3-methylsulfinylaniline (PubChem CID 115744089) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-cyclohexyl-3-methylsulfinylaniline.

Molecular Properties

Compound NameN-cyclohexyl-3-methylsulfinylaniline
PubChem CID115744089
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-cyclohexyl-3-methylsulfinylaniline
SMILESCS(=O)c1cccc(NC2CCCCC2)c1
InChIInChI=1S/C13H19NOS/c1-16(15)13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h5,8-11,14H,2-4,6-7H2,1H3
InChIKeyZIUIGKFBGMDWFQ-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
N-cyclohexyl-3-ethylaniline
CID 11009024
3-tert-butyl-N-cyclopentylaniline
CID 176880114
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
3-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43725453
3-(cyclododecylamino)benzonitrile
CID 63422717
3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920
4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline
CID 86787784
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534
1-(cyclopentylamino)-3-(sulfamoylamino)benzene
CID 43741971

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methylsulfinylaniline?
The IUPAC name of N-cyclohexyl-3-methylsulfinylaniline (CID 115744089) is N-cyclohexyl-3-methylsulfinylaniline.
What is the SMILES notation for N-cyclohexyl-3-methylsulfinylaniline?
The canonical SMILES for N-cyclohexyl-3-methylsulfinylaniline is CS(=O)c1cccc(NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-methylsulfinylaniline?
The InChIKey is ZIUIGKFBGMDWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-16(15)13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h5,8-11,14H,2-4,6-7H2,1H3.
What are the key properties of N-cyclohexyl-3-methylsulfinylaniline?
N-cyclohexyl-3-methylsulfinylaniline has a molecular weight of 237.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methylsulfinylaniline is sourced from PubChem (CID 115744089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).