2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone

C11H19N5O2S — CID 3212942

IUPAC2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCCCCn1nnnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C11H19N5O2S/c1-2-3-4-16-11(12-13-14-16)19-9-10(17)15-5-7-18-8-6-15/h2-9H2,1H3
InChIKeyUZUAYRXZTZWAMP-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.42
Rot. Bonds6

About 2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone

2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 3212942) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID3212942
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCCCCn1nnnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C11H19N5O2S/c1-2-3-4-16-11(12-13-14-16)19-9-10(17)15-5-7-18-8-6-15/h2-9H2,1H3
InChIKeyUZUAYRXZTZWAMP-UHFFFAOYSA-N
XLogP0.42
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.42
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
1-Morpholin-4-yl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 656170
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-(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
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N,N-diethyl-acetamide
CID 3212938

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone (CID 3212942) is 2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone is CCCCn1nnnc1SCC(=O)N1CCOCC1.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is UZUAYRXZTZWAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-2-3-4-16-11(12-13-14-16)19-9-10(17)15-5-7-18-8-6-15/h2-9H2,1H3.
What are the key properties of 2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 285.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 3212942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).