3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide

C9H17N5O2S — CID 120876611

IUPAC3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1cnnn1C
InChIInChI=1S/C9H17N5O2S/c1-7-8(4-3-5-10-7)12-17(15,16)9-6-11-13-14(9)2/h6-8,10,12H,3-5H2,1-2H3
InChIKeyNBEQIXWHKFNHLC-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.77
Rot. Bonds3

About 3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide

3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide (PubChem CID 120876611) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide
PubChem CID120876611
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1cnnn1C
InChIInChI=1S/C9H17N5O2S/c1-7-8(4-3-5-10-7)12-17(15,16)9-6-11-13-14(9)2/h6-8,10,12H,3-5H2,1-2H3
InChIKeyNBEQIXWHKFNHLC-UHFFFAOYSA-N
XLogP-0.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(3-methyltriazol-4-yl)piperidin-3-amine
CID 130486758
N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride
CID 120726672
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
CID 120876392
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
1,3-dimethyl-N-(2-methylpiperidin-3-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120726657
2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120726485
1-ethyl-2-methyl-N-(2-methylpiperidin-3-yl)imidazole-4-sulfonamide
CID 79043531
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
N-(2-methylpiperidin-3-yl)piperidine-1-sulfonamide;hydrochloride
CID 120726603

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide (CID 120876611) is 3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide is CC1NCCCC1NS(=O)(=O)c1cnnn1C.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide?
The InChIKey is NBEQIXWHKFNHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-7-8(4-3-5-10-7)12-17(15,16)9-6-11-13-14(9)2/h6-8,10,12H,3-5H2,1-2H3.
What are the key properties of 3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide?
3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpiperidin-3-yl)triazole-4-sulfonamide is sourced from PubChem (CID 120876611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).