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

C9H15N5O2S — CID 649256

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCCn1nnnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C9H15N5O2S/c1-2-14-9(10-11-12-14)17-7-8(15)13-3-5-16-6-4-13/h2-7H2,1H3
InChIKeyIVSLNMXIOZKWCF-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.36
Rot. Bonds4

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

2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 649256) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID649256
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCCn1nnnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C9H15N5O2S/c1-2-14-9(10-11-12-14)17-7-8(15)13-3-5-16-6-4-13/h2-7H2,1H3
InChIKeyIVSLNMXIOZKWCF-UHFFFAOYSA-N
XLogP-0.36
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.36
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
methyl 4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
CID 1037954
2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1451285
4-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid;4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyltetrazol-1-yl]benzoic acid;4-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]benzoic acid;4-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyltetrazol-1-yl]benzoic acid
CID 163516920
1-(azepan-1-yl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 127667265
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1084437
2-(1-benzyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 17392960
1-morpholin-4-yl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 5008650
N-cyclopentyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1452223
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 51244716
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1080941
2-[1-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]acetic acid
CID 84758764

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone (CID 649256) is 2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone is CCn1nnnc1SCC(=O)N1CCOCC1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is IVSLNMXIOZKWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-2-14-9(10-11-12-14)17-7-8(15)13-3-5-16-6-4-13/h2-7H2,1H3.
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 257.32 g/mol, XLogP of -0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 649256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).