4-(benzotriazol-1-ylsulfonyl)morpholine

C10H12N4O3S — CID 973787

IUPAC4-(benzotriazol-1-ylsulfonyl)morpholine
SMILESO=S(=O)(N1CCOCC1)n1nnc2ccccc21
InChIInChI=1S/C10H12N4O3S/c15-18(16,13-5-7-17-8-6-13)14-10-4-2-1-3-9(10)11-12-14/h1-4H,5-8H2
InChIKeyQVDGGVFOMIPCOU-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.14
Rot. Bonds2

About 4-(benzotriazol-1-ylsulfonyl)morpholine

4-(benzotriazol-1-ylsulfonyl)morpholine (PubChem CID 973787) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(benzotriazol-1-ylsulfonyl)morpholine
PubChem CID973787
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name4-(benzotriazol-1-ylsulfonyl)morpholine
SMILESO=S(=O)(N1CCOCC1)n1nnc2ccccc21
InChIInChI=1S/C10H12N4O3S/c15-18(16,13-5-7-17-8-6-13)14-10-4-2-1-3-9(10)11-12-14/h1-4H,5-8H2
InChIKeyQVDGGVFOMIPCOU-UHFFFAOYSA-N
XLogP-0.14
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(benzotriazol-1-ylsulfonyl)morpholine 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 4-(benzotriazol-1-ylsulfonyl)morpholine?
The IUPAC name of 4-(benzotriazol-1-ylsulfonyl)morpholine (CID 973787) is 4-(benzotriazol-1-ylsulfonyl)morpholine.
What is the SMILES notation for 4-(benzotriazol-1-ylsulfonyl)morpholine?
The canonical SMILES for 4-(benzotriazol-1-ylsulfonyl)morpholine is O=S(=O)(N1CCOCC1)n1nnc2ccccc21.
What is the InChIKey of 4-(benzotriazol-1-ylsulfonyl)morpholine?
The InChIKey is QVDGGVFOMIPCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c15-18(16,13-5-7-17-8-6-13)14-10-4-2-1-3-9(10)11-12-14/h1-4H,5-8H2.
What are the key properties of 4-(benzotriazol-1-ylsulfonyl)morpholine?
4-(benzotriazol-1-ylsulfonyl)morpholine has a molecular weight of 268.30 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylsulfonyl)morpholine is sourced from PubChem (CID 973787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).