N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide

C16H30N6O2S — CID 70706080

IUPACN,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2nnc(CN3CCCCC3)n2C)C1
InChIInChI=1S/C16H30N6O2S/c1-19(2)25(23,24)22-11-7-8-14(12-22)16-18-17-15(20(16)3)13-21-9-5-4-6-10-21/h14H,4-13H2,1-3H3
InChIKeyOTJRGHQNFBLYOA-UHFFFAOYSA-N
MW370.52 g/mol
LogP0.79
Rot. Bonds5

About N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide

N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide (PubChem CID 70706080) has the molecular formula C16H30N6O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide
PubChem CID70706080
Molecular FormulaC16H30N6O2S
Molecular Weight370.52 g/mol
Exact Mass370.22
IUPAC NameN,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2nnc(CN3CCCCC3)n2C)C1
InChIInChI=1S/C16H30N6O2S/c1-19(2)25(23,24)22-11-7-8-14(12-22)16-18-17-15(20(16)3)13-21-9-5-4-6-10-21/h14H,4-13H2,1-3H3
InChIKeyOTJRGHQNFBLYOA-UHFFFAOYSA-N
XLogP0.79
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide (CID 70706080) is N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(c2nnc(CN3CCCCC3)n2C)C1.
What is the InChIKey of N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide?
The InChIKey is OTJRGHQNFBLYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O2S/c1-19(2)25(23,24)22-11-7-8-14(12-22)16-18-17-15(20(16)3)13-21-9-5-4-6-10-21/h14H,4-13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide?
N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide has a molecular weight of 370.52 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 70706080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).