N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

C11H21N5O2S — CID 102799695

IUPACN-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2n[nH]c(CS(C)(=O)=O)n2)C1
InChIInChI=1S/C11H21N5O2S/c1-12-6-9-4-3-5-16(7-9)11-13-10(14-15-11)8-19(2,17)18/h9,12H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyUASFPARDEOQHFY-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.21
Rot. Bonds5

About N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 102799695) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID102799695
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(c2n[nH]c(CS(C)(=O)=O)n2)C1
InChIInChI=1S/C11H21N5O2S/c1-12-6-9-4-3-5-16(7-9)11-13-10(14-15-11)8-19(2,17)18/h9,12H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyUASFPARDEOQHFY-UHFFFAOYSA-N
XLogP-0.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799675
1-[1-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799650
N-methyl-1-[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799633
1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799637
N-methyl-1-[1-(5-pyridazin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799660
1-[1-[5-(cyclobutylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 103162652
1-[1-[5-(5-bromothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799591
N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 103510849
N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799705
N-methyl-1-[1-[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799653
1-[1-[5-(3-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799712
[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102799874

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 102799695) is N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is CNCC1CCCN(c2n[nH]c(CS(C)(=O)=O)n2)C1.
What is the InChIKey of N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is UASFPARDEOQHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-12-6-9-4-3-5-16(7-9)11-13-10(14-15-11)8-19(2,17)18/h9,12H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine has a molecular weight of 287.39 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 102799695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).