N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide

C11H19N5O3S — CID 97289660

IUPACN-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide
SMILESCNC(=O)c1cn(C[C@@H]2CCCCN2S(C)(=O)=O)nn1
InChIInChI=1S/C11H19N5O3S/c1-12-11(17)10-8-15(14-13-10)7-9-5-3-4-6-16(9)20(2,18)19/h8-9H,3-7H2,1-2H3,(H,12,17)/t9-/m0/s1
InChIKeyQNELKDLRHNDINX-VIFPVBQESA-N
MW301.37 g/mol
LogP-0.55
Rot. Bonds4

About N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide

N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 97289660) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide
PubChem CID97289660
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC NameN-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide
SMILESCNC(=O)c1cn(C[C@@H]2CCCCN2S(C)(=O)=O)nn1
InChIInChI=1S/C11H19N5O3S/c1-12-11(17)10-8-15(14-13-10)7-9-5-3-4-6-16(9)20(2,18)19/h8-9H,3-7H2,1-2H3,(H,12,17)/t9-/m0/s1
InChIKeyQNELKDLRHNDINX-VIFPVBQESA-N
XLogP-0.55
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493695
tert-butyl (2S)-2-[[4-(methylcarbamoyl)triazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97184481
1-[2-[(2S)-1-(dimethylsulfamoyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26403188
1-[[1-(4-ethylphenyl)sulfonyl-4,4-difluoropyrrolidin-2-yl]methyl]-N-methyltriazole-4-carboxamide
CID 171144322
[2-formyl-4-[2-[[4-(methylcarbamoyl)triazol-1-yl]methyl]pyrrolidine-1-carbonyl]phenyl]boronic acid
CID 166432503
N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26324562
1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45181529
tert-butyl (2R)-2-[(4-carbamoyltriazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 97184474
1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide
CID 163349645
1-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289334
1-[2-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26355822
1-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methyl]-N-cyclopentyltriazole-4-carboxamide
CID 171144200

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide (CID 97289660) is N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide is CNC(=O)c1cn(C[C@@H]2CCCCN2S(C)(=O)=O)nn1.
What is the InChIKey of N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is QNELKDLRHNDINX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-12-11(17)10-8-15(14-13-10)7-9-5-3-4-6-16(9)20(2,18)19/h8-9H,3-7H2,1-2H3,(H,12,17)/t9-/m0/s1.
What are the key properties of N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide?
N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[(2S)-1-methylsulfonylpiperidin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 97289660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).