N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline

C14H22N2O2S — CID 55243938

IUPACN-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NC2(CN)CCCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)13-7-5-12(6-8-13)16-14(11-15)9-3-2-4-10-14/h5-8,16H,2-4,9-11,15H2,1H3
InChIKeyQNRULEPWFUWOKI-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.16
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline

N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline (PubChem CID 55243938) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
PubChem CID55243938
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NC2(CN)CCCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)13-7-5-12(6-8-13)16-14(11-15)9-3-2-4-10-14/h5-8,16H,2-4,9-11,15H2,1H3
InChIKeyQNRULEPWFUWOKI-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylsulfonylanilino)cyclopentyl]methanol
CID 55082586
4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide
CID 63761192
4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide
CID 63761185
N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
1-(aminomethyl)-N-(4-chlorophenyl)cyclooctan-1-amine
CID 65382773
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457
1-(4-methylsulfonylanilino)cyclohexane-1-carbonitrile
CID 126549254
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
CID 63759832
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylsulfonylaniline
CID 113313747
[4-(4-methylsulfonylanilino)oxan-4-yl]methanol
CID 106299965
N-[1-(aminomethyl)cyclopentyl]pyridin-4-amine
CID 63761781
N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline
CID 79521267

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline (CID 55243938) is N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline is CS(=O)(=O)c1ccc(NC2(CN)CCCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline?
The InChIKey is QNRULEPWFUWOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)13-7-5-12(6-8-13)16-14(11-15)9-3-2-4-10-14/h5-8,16H,2-4,9-11,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline?
N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline is sourced from PubChem (CID 55243938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).