3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide

C14H22N2O2S2 — CID 106090779

IUPAC3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C14H22N2O2S2/c1-19-13-7-5-12(6-8-13)16-20(17,18)14-4-2-3-11(9-14)10-15/h2-4,9,12-13,16H,5-8,10,15H2,1H3
InChIKeyOQLVCAAIQXNUPZ-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.10
Rot. Bonds5

About 3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide

3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide (PubChem CID 106090779) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
PubChem CID106090779
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C14H22N2O2S2/c1-19-13-7-5-12(6-8-13)16-20(17,18)14-4-2-3-11(9-14)10-15/h2-4,9,12-13,16H,5-8,10,15H2,1H3
InChIKeyOQLVCAAIQXNUPZ-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylcyclohexyl)pyrrole-3-sulfonamide
CID 106090752
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106090773
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61482582
2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 43568463
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114503347
3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide
CID 59280856
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide (CID 106090779) is 3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide is CSC1CCC(NS(=O)(=O)c2cccc(CN)c2)CC1.
What is the InChIKey of 3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide?
The InChIKey is OQLVCAAIQXNUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-19-13-7-5-12(6-8-13)16-20(17,18)14-4-2-3-11(9-14)10-15/h2-4,9,12-13,16H,5-8,10,15H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide?
3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide has a molecular weight of 314.48 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106090779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).