(3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone

C14H19N5OS — CID 126828433

IUPAC(3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone
SMILESCCSC1CCCCN(C(=O)c2cccn3nnnc23)C1
InChIInChI=1S/C14H19N5OS/c1-2-21-11-6-3-4-8-18(10-11)14(20)12-7-5-9-19-13(12)15-16-17-19/h5,7,9,11H,2-4,6,8,10H2,1H3
InChIKeyXRFZQZKHVNMLMG-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.87
Rot. Bonds3

About (3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone

(3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone (PubChem CID 126828433) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is (3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone.

Molecular Properties

Compound Name(3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone
PubChem CID126828433
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name(3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone
SMILESCCSC1CCCCN(C(=O)c2cccn3nnnc23)C1
InChIInChI=1S/C14H19N5OS/c1-2-21-11-6-3-4-8-18(10-11)14(20)12-7-5-9-19-13(12)15-16-17-19/h5,7,9,11H,2-4,6,8,10H2,1H3
InChIKeyXRFZQZKHVNMLMG-UHFFFAOYSA-N
XLogP1.87
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethylsulfanylazepan-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 126839952
4-(3-ethylsulfanylazepane-1-carbonyl)-2H-phthalazin-1-one
CID 166203105
5-(3-ethylsulfanylazepane-1-carbonyl)thiophene-2-carboxylic acid
CID 119184955
(3-aminophenyl)-(3-ethylsulfanylazepan-1-yl)methanone;hydrochloride
CID 119783621
[2-[3-(dimethylamino)propyl]morpholin-4-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 166252933
5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 166252762
6-oxa-9-azaspiro[4.5]decan-9-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 166252743
3-amino-1-(3-ethylsulfanylazepan-1-yl)propan-1-one
CID 119323587
[4-(3-aminonaphthalene-1-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 167872489
2-benzyl-4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phthalazin-1-one
CID 99807086
2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide
CID 56788094
(3-ethylsulfanylazepan-1-yl)-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone
CID 126836009

Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone?
The IUPAC name of (3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone (CID 126828433) is (3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone.
What is the SMILES notation for (3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone?
The canonical SMILES for (3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone is CCSC1CCCCN(C(=O)c2cccn3nnnc23)C1.
What is the InChIKey of (3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone?
The InChIKey is XRFZQZKHVNMLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-2-21-11-6-3-4-8-18(10-11)14(20)12-7-5-9-19-13(12)15-16-17-19/h5,7,9,11H,2-4,6,8,10H2,1H3.
What are the key properties of (3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone?
(3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone has a molecular weight of 305.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone is sourced from PubChem (CID 126828433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).