(1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine

C14H22N2O2S — CID 99997092

IUPAC(1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine
SMILESCS(=O)(=O)C1(CN)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)14(12-15)7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6H,7-12,15H2,1H3
InChIKeyJXECSFFDRDRATE-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.02
Rot. Bonds4

About (1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine

(1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine (PubChem CID 99997092) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine
PubChem CID99997092
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine
SMILESCS(=O)(=O)C1(CN)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)14(12-15)7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6H,7-12,15H2,1H3
InChIKeyJXECSFFDRDRATE-UHFFFAOYSA-N
XLogP1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312
methylsulfonyloxymethyl 1-benzyl-4-fluoropiperidine-4-carboxylate
CID 87967410
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104
2-benzyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 136518555
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine?
The IUPAC name of (1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine (CID 99997092) is (1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine.
What is the SMILES notation for (1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine?
The canonical SMILES for (1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine is CS(=O)(=O)C1(CN)CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine?
The InChIKey is JXECSFFDRDRATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)14(12-15)7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6H,7-12,15H2,1H3.
What are the key properties of (1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine?
(1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine is sourced from PubChem (CID 99997092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).