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

C10H20ClN5O2S — CID 120876257

IUPAC3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1nncc1S(=O)(=O)NCC1(C)CCCNC1
InChIInChI=1S/C10H19N5O2S.ClH/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;1H
InChIKeyBXPKNEFTNNZIHT-UHFFFAOYSA-N
MW309.82 g/mol
LogP-0.10
Rot. Bonds4

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

3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride (PubChem CID 120876257) has the molecular formula C10H20ClN5O2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride
PubChem CID120876257
Molecular FormulaC10H20ClN5O2S
Molecular Weight309.82 g/mol
Exact Mass309.10
IUPAC Name3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1nncc1S(=O)(=O)NCC1(C)CCCNC1
InChIInChI=1S/C10H19N5O2S.ClH/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;1H
InChIKeyBXPKNEFTNNZIHT-UHFFFAOYSA-N
XLogP-0.10
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide
CID 120876258
N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide
CID 120875661
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 120720870
3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720873
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704
N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720680
4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720830
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
CID 120876392
5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720844
N-[(3-methylpiperidin-3-yl)methyl]cyclopropanesulfonamide;hydrochloride
CID 120720826

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride?
The IUPAC name of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride (CID 120876257) is 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride is Cl.Cn1nncc1S(=O)(=O)NCC1(C)CCCNC1.
What is the InChIKey of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride?
The InChIKey is BXPKNEFTNNZIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S.ClH/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;1H.
What are the key properties of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride?
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride has a molecular weight of 309.82 g/mol, XLogP of -0.10, 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;hydrochloride is sourced from PubChem (CID 120876257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).