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

C11H21N5O2S — CID 131890041

IUPACN-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide
SMILESCn1ncnc1CCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H21N5O2S/c1-15-11(12-10-13-15)6-7-14-19(17,18)16-8-4-2-3-5-9-16/h10,14H,2-9H2,1H3
InChIKeyFKNCSGQIBKFDKQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.07
Rot. Bonds5

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

N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide (PubChem CID 131890041) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide
PubChem CID131890041
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide
SMILESCn1ncnc1CCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H21N5O2S/c1-15-11(12-10-13-15)6-7-14-19(17,18)16-8-4-2-3-5-9-16/h10,14H,2-9H2,1H3
InChIKeyFKNCSGQIBKFDKQ-UHFFFAOYSA-N
XLogP0.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide
CID 132406308
5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole
CID 164632572
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide
CID 47213754
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]azepane-1-sulfonamide
CID 47318716
N-[3-(1,2,4-triazol-1-yl)propyl]azepane-1-sulfonamide
CID 53498109
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-1-sulfonamide
CID 54883348
6-(2-Ethyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62695103
5-(2-Methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62695673
5-(2-Ethyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62696839
6-(2-Methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62697014
3-[2-[[3-Aminopropyl(methyl)sulfamoyl]amino]ethyl]-4-methyl-1,2,4-triazole
CID 63330367
4-(1-Ethyl-1h-1,2,4-triazol-5-yl)butan-1-amine
CID 64060212

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide?
The IUPAC name of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide (CID 131890041) is N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide is Cn1ncnc1CCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide?
The InChIKey is FKNCSGQIBKFDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-15-11(12-10-13-15)6-7-14-19(17,18)16-8-4-2-3-5-9-16/h10,14H,2-9H2,1H3.
What are the key properties of N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide?
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide is sourced from PubChem (CID 131890041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).