bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane

C12H18N5OPS — CID 2997661

IUPACbis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESCn1ccnc1P(=S)(c1nccn1C)N1CCOCC1
InChIInChI=1S/C12H18N5OPS/c1-15-5-3-13-11(15)19(20,12-14-4-6-16(12)2)17-7-9-18-10-8-17/h3-6H,7-10H2,1-2H3
InChIKeyFMTCSBCDWTYTRF-UHFFFAOYSA-N
MW311.35 g/mol
LogP-0.17
Rot. Bonds3

About bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane

bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane (PubChem CID 2997661) has the molecular formula C12H18N5OPS and a molecular weight of 311.35 g/mol. Its IUPAC name is bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane
PubChem CID2997661
Molecular FormulaC12H18N5OPS
Molecular Weight311.35 g/mol
Exact Mass311.10
IUPAC Namebis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESCn1ccnc1P(=S)(c1nccn1C)N1CCOCC1
InChIInChI=1S/C12H18N5OPS/c1-15-5-3-13-11(15)19(20,12-14-4-6-16(12)2)17-7-9-18-10-8-17/h3-6H,7-10H2,1-2H3
InChIKeyFMTCSBCDWTYTRF-UHFFFAOYSA-N
XLogP-0.17
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane?
The IUPAC name of bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane (CID 2997661) is bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane is Cn1ccnc1P(=S)(c1nccn1C)N1CCOCC1.
What is the InChIKey of bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane?
The InChIKey is FMTCSBCDWTYTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N5OPS/c1-15-5-3-13-11(15)19(20,12-14-4-6-16(12)2)17-7-9-18-10-8-17/h3-6H,7-10H2,1-2H3.
What are the key properties of bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane?
bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane has a molecular weight of 311.35 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylimidazol-2-yl)-morpholin-4-yl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2997661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).