[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine

C14H22N2O2S — CID 106996541

IUPAC[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCc1cc(CN)ccc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C14H22N2O2S/c1-11-5-7-16(8-6-11)19(17,18)14-4-3-13(10-15)9-12(14)2/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeyLTSXTRDUGIKUCN-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.87
Rot. Bonds3

About [3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine

[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 106996541) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID106996541
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCc1cc(CN)ccc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C14H22N2O2S/c1-11-5-7-16(8-6-11)19(17,18)14-4-3-13(10-15)9-12(14)2/h3-4,9,11H,5-8,10,15H2,1-2H3
InChIKeyLTSXTRDUGIKUCN-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
CID 106996739
[4-(3,3-diethylpyrrolidin-1-yl)sulfonyl-3-methylphenyl]methanamine
CID 106997052
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
CID 106996722
1-[4-(aminomethyl)-2-methylphenyl]sulfonylpyrrolidine-2-carboxamide
CID 106996648
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
[3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 17221119
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258868
(3aR,7aR)-2-[[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92867135
(3aS,7aS)-2-[[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98296120

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 106996541) is [3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine is Cc1cc(CN)ccc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of [3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is LTSXTRDUGIKUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-5-7-16(8-6-11)19(17,18)14-4-3-13(10-15)9-12(14)2/h3-4,9,11H,5-8,10,15H2,1-2H3.
What are the key properties of [3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 106996541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).