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

C8H13N5O2S — CID 1081014

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCn1nnnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C8H13N5O2S/c1-12-8(9-10-11-12)16-6-7(14)13-2-4-15-5-3-13/h2-6H2,1H3
InChIKeyLHZSADFSLJIGJD-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.84
Rot. Bonds3

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

2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 1081014) has the molecular formula C8H13N5O2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID1081014
Molecular FormulaC8H13N5O2S
Molecular Weight243.29 g/mol
Exact Mass243.08
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCn1nnnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C8H13N5O2S/c1-12-8(9-10-11-12)16-6-7(14)13-2-4-15-5-3-13/h2-6H2,1H3
InChIKeyLHZSADFSLJIGJD-UHFFFAOYSA-N
XLogP-0.84
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone (CID 1081014) is 2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone is Cn1nnnc1SCC(=O)N1CCOCC1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is LHZSADFSLJIGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S/c1-12-8(9-10-11-12)16-6-7(14)13-2-4-15-5-3-13/h2-6H2,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 243.29 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 1081014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).