3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide

C10H19N5O2S — CID 120876258

IUPAC3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide
SMILESCn1nncc1S(=O)(=O)NCC1(C)CCCNC1
InChIInChI=1S/C10H19N5O2S/c1-10(4-3-5-11-7-10)8-13-18(16,17)9-6-12-14-15(9)2/h6,11,13H,3-5,7-8H2,1-2H3
InChIKeyOQAMWRLGBYYKJD-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.52
Rot. Bonds4

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

3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide (PubChem CID 120876258) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide
PubChem CID120876258
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide
SMILESCn1nncc1S(=O)(=O)NCC1(C)CCCNC1
InChIInChI=1S/C10H19N5O2S/c1-10(4-3-5-11-7-10)8-13-18(16,17)9-6-12-14-15(9)2/h6,11,13H,3-5,7-8H2,1-2H3
InChIKeyOQAMWRLGBYYKJD-UHFFFAOYSA-N
XLogP-0.52
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide (CID 120876258) is 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide is Cn1nncc1S(=O)(=O)NCC1(C)CCCNC1.
What is the InChIKey of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide?
The InChIKey is OQAMWRLGBYYKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-10(4-3-5-11-7-10)8-13-18(16,17)9-6-12-14-15(9)2/h6,11,13H,3-5,7-8H2,1-2H3.
What are the key properties of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide?
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide is sourced from PubChem (CID 120876258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).