1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone

C10H17N5O2S — CID 655177

IUPAC1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
SMILESCC(C)n1nnnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C10H17N5O2S/c1-8(2)15-10(11-12-13-15)18-7-9(16)14-3-5-17-6-4-14/h8H,3-7H2,1-2H3
InChIKeyTULBXDSXPSSFKE-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.20
Rot. Bonds4

About 1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone

1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone (PubChem CID 655177) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
PubChem CID655177
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
SMILESCC(C)n1nnnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C10H17N5O2S/c1-8(2)15-10(11-12-13-15)18-7-9(16)14-3-5-17-6-4-14/h8H,3-7H2,1-2H3
InChIKeyTULBXDSXPSSFKE-UHFFFAOYSA-N
XLogP0.20
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone (CID 655177) is 1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone is CC(C)n1nnnc1SCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
The InChIKey is TULBXDSXPSSFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-8(2)15-10(11-12-13-15)18-7-9(16)14-3-5-17-6-4-14/h8H,3-7H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone?
1-morpholin-4-yl-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone has a molecular weight of 271.35 g/mol, XLogP of 0.20, 4 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-propan-2-yltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 655177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).