1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone

C10H17N5O2S — CID 656170

IUPAC1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone
SMILESCCCn1nnnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C10H17N5O2S/c1-2-3-15-10(11-12-13-15)18-8-9(16)14-4-6-17-7-5-14/h2-8H2,1H3
InChIKeyFGOLQODJYKRVAR-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.03
Rot. Bonds5

About 1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone

1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone (PubChem CID 656170) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone
PubChem CID656170
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone
SMILESCCCn1nnnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C10H17N5O2S/c1-2-3-15-10(11-12-13-15)18-8-9(16)14-4-6-17-7-5-14/h2-8H2,1H3
InChIKeyFGOLQODJYKRVAR-UHFFFAOYSA-N
XLogP0.03
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976
2-(1-Methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 1081014
2-(1-Cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 802635
1-Piperidin-1-yl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452245
1-(2,6-Dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one
CID 4883454
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 1452225
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 3212942
2-[1-(3-Methoxy-propyl)-1H-tetrazol-5-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone
CID 3212980
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 649256
2-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylsulfanyl]-1-piperidin-1-yl-ethanone
CID 650628
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 655177
N,N-diethyl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetamide
CID 53604175

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone (CID 656170) is 1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone is CCCn1nnnc1SCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The InChIKey is FGOLQODJYKRVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-2-3-15-10(11-12-13-15)18-8-9(16)14-4-6-17-7-5-14/h2-8H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone has a molecular weight of 271.35 g/mol, XLogP of 0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 656170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).