1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide

C11H16N6O3S2 — CID 110401749

IUPAC1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2nn3cnnc3s2)CC1
InChIInChI=1S/C11H16N6O3S2/c1-22(19,20)16-4-2-8(3-5-16)10(18)12-6-9-15-17-7-13-14-11(17)21-9/h7-8H,2-6H2,1H3,(H,12,18)
InChIKeyKLBYRQRXZZDYDJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP-0.53
Rot. Bonds4

About 1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide

1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide (PubChem CID 110401749) has the molecular formula C11H16N6O3S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide
PubChem CID110401749
Molecular FormulaC11H16N6O3S2
Molecular Weight344.42 g/mol
Exact Mass344.07
IUPAC Name1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2nn3cnnc3s2)CC1
InChIInChI=1S/C11H16N6O3S2/c1-22(19,20)16-4-2-8(3-5-16)10(18)12-6-9-15-17-7-13-14-11(17)21-9/h7-8H,2-6H2,1H3,(H,12,18)
InChIKeyKLBYRQRXZZDYDJ-UHFFFAOYSA-N
XLogP-0.53
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 51323360
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CID 110401586
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
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1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 110317941
1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47042053
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110319587
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 18141586
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide (CID 110401749) is 1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2nn3cnnc3s2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KLBYRQRXZZDYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S2/c1-22(19,20)16-4-2-8(3-5-16)10(18)12-6-9-15-17-7-13-14-11(17)21-9/h7-8H,2-6H2,1H3,(H,12,18).
What are the key properties of 1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 110401749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).