2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide

C14H20N6O2S2 — CID 133334856

IUPAC2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide
SMILESCCc1nsc(N2CCCN(c3ncccc3S(N)(=O)=O)CC2)n1
InChIInChI=1S/C14H20N6O2S2/c1-2-12-17-14(23-18-12)20-8-4-7-19(9-10-20)13-11(24(15,21)22)5-3-6-16-13/h3,5-6H,2,4,7-10H2,1H3,(H2,15,21,22)
InChIKeyOXNCKTOBGUEUCP-UHFFFAOYSA-N
MW368.49 g/mol
LogP0.86
Rot. Bonds4

About 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide (PubChem CID 133334856) has the molecular formula C14H20N6O2S2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide
PubChem CID133334856
Molecular FormulaC14H20N6O2S2
Molecular Weight368.49 g/mol
Exact Mass368.11
IUPAC Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide
SMILESCCc1nsc(N2CCCN(c3ncccc3S(N)(=O)=O)CC2)n1
InChIInChI=1S/C14H20N6O2S2/c1-2-12-17-14(23-18-12)20-8-4-7-19(9-10-20)13-11(24(15,21)22)5-3-6-16-13/h3,5-6H,2,4,7-10H2,1H3,(H2,15,21,22)
InChIKeyOXNCKTOBGUEUCP-UHFFFAOYSA-N
XLogP0.86
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-ethyl-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
CID 133333050
3-cyano-4-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]benzenesulfonamide
CID 133334910
3-ethyl-5-[4-(4-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 133334887
3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 166199012
2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119899756
3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 133358660
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine
CID 65270394
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 71992611
3-ethyl-5-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 71991034
3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole
CID 125423818
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine
CID 65275971

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide (CID 133334856) is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide is CCc1nsc(N2CCCN(c3ncccc3S(N)(=O)=O)CC2)n1.
What is the InChIKey of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide?
The InChIKey is OXNCKTOBGUEUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S2/c1-2-12-17-14(23-18-12)20-8-4-7-19(9-10-20)13-11(24(15,21)22)5-3-6-16-13/h3,5-6H,2,4,7-10H2,1H3,(H2,15,21,22).
What are the key properties of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide?
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide has a molecular weight of 368.49 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133334856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).