N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide

C9H18N6O2S — CID 61253512

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCNCC1)c1nncn1C
InChIInChI=1S/C9H18N6O2S/c1-8(9-12-11-7-14(9)2)13-18(16,17)15-5-3-10-4-6-15/h7-8,10,13H,3-6H2,1-2H3
InChIKeyITFBCXVRKUZVEA-UHFFFAOYSA-N
MW274.35 g/mol
LogP-1.38
Rot. Bonds4

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide (PubChem CID 61253512) has the molecular formula C9H18N6O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide
PubChem CID61253512
Molecular FormulaC9H18N6O2S
Molecular Weight274.35 g/mol
Exact Mass274.12
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCNCC1)c1nncn1C
InChIInChI=1S/C9H18N6O2S/c1-8(9-12-11-7-14(9)2)13-18(16,17)15-5-3-10-4-6-15/h7-8,10,13H,3-6H2,1-2H3
InChIKeyITFBCXVRKUZVEA-UHFFFAOYSA-N
XLogP-1.38
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide (CID 61253512) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide is CC(NS(=O)(=O)N1CCNCC1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide?
The InChIKey is ITFBCXVRKUZVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2S/c1-8(9-12-11-7-14(9)2)13-18(16,17)15-5-3-10-4-6-15/h7-8,10,13H,3-6H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61253512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).