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

C11H21N5O2S — CID 64511502

IUPACN,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)N2CCCCC2C)n[nH]1
InChIInChI=1S/C11H21N5O2S/c1-9-6-4-5-7-16(9)19(17,18)15(3)8-11-12-10(2)13-14-11/h9H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyMFVVVXFFQFJQIP-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.66
Rot. Bonds4

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

N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide (PubChem CID 64511502) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
PubChem CID64511502
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)N2CCCCC2C)n[nH]1
InChIInChI=1S/C11H21N5O2S/c1-9-6-4-5-7-16(9)19(17,18)15(3)8-11-12-10(2)13-14-11/h9H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyMFVVVXFFQFJQIP-UHFFFAOYSA-N
XLogP0.66
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide (CID 64511502) is N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide is Cc1nc(CN(C)S(=O)(=O)N2CCCCC2C)n[nH]1.
What is the InChIKey of N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is MFVVVXFFQFJQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9-6-4-5-7-16(9)19(17,18)15(3)8-11-12-10(2)13-14-11/h9H,4-8H2,1-3H3,(H,12,13,14).
What are the key properties of N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide?
N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 64511502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).