N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide

C10H20N6O2S — CID 64518286

IUPACN-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C10H20N6O2S/c1-15(8-10-12-9-13-14-10)19(17,18)7-6-16-4-2-11-3-5-16/h9,11H,2-8H2,1H3,(H,12,13,14)
InChIKeyIZOVOQCZFKATPZ-UHFFFAOYSA-N
MW288.38 g/mol
LogP-1.53
Rot. Bonds6

About N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide

N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide (PubChem CID 64518286) has the molecular formula C10H20N6O2S and a molecular weight of 288.38 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
PubChem CID64518286
Molecular FormulaC10H20N6O2S
Molecular Weight288.38 g/mol
Exact Mass288.14
IUPAC NameN-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C10H20N6O2S/c1-15(8-10-12-9-13-14-10)19(17,18)7-6-16-4-2-11-3-5-16/h9,11H,2-8H2,1H3,(H,12,13,14)
InChIKeyIZOVOQCZFKATPZ-UHFFFAOYSA-N
XLogP-1.53
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 107652046
N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64519222
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 64512890
N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
CID 55012319
N-(2-methoxyethyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 54972243
N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide
CID 64517457
N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 63009964
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511442
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 79311349
2-piperazin-1-ylethanesulfonamide
CID 54595802
3-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)propane-1-sulfonamide
CID 63287773

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide (CID 64518286) is N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The InChIKey is IZOVOQCZFKATPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2S/c1-15(8-10-12-9-13-14-10)19(17,18)7-6-16-4-2-11-3-5-16/h9,11H,2-8H2,1H3,(H,12,13,14).
What are the key properties of N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide has a molecular weight of 288.38 g/mol, XLogP of -1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 64518286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).