2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone

C11H17N5O2S — CID 42891353

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CSc2nnnn2C2CC2)CCO1
InChIInChI=1S/C11H17N5O2S/c1-8-6-15(4-5-18-8)10(17)7-19-11-12-13-14-16(11)9-2-3-9/h8-9H,2-7H2,1H3
InChIKeyMOVJGWCSYCPYTJ-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.35
Rot. Bonds4

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 42891353) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID42891353
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CSc2nnnn2C2CC2)CCO1
InChIInChI=1S/C11H17N5O2S/c1-8-6-15(4-5-18-8)10(17)7-19-11-12-13-14-16(11)9-2-3-9/h8-9H,2-7H2,1H3
InChIKeyMOVJGWCSYCPYTJ-UHFFFAOYSA-N
XLogP0.35
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone (CID 42891353) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CSc2nnnn2C2CC2)CCO1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is MOVJGWCSYCPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-8-6-15(4-5-18-8)10(17)7-19-11-12-13-14-16(11)9-2-3-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 283.36 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 42891353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).