4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine

C10H16ClN3O3S — CID 61384229

IUPAC4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine
SMILESCn1cnc(S(=O)(=O)N2CCOCC2(C)C)c1Cl
InChIInChI=1S/C10H16ClN3O3S/c1-10(2)6-17-5-4-14(10)18(15,16)9-8(11)13(3)7-12-9/h7H,4-6H2,1-3H3
InChIKeyRYDRXRIYSVPPLL-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.87
Rot. Bonds2

About 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine

4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine (PubChem CID 61384229) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine
PubChem CID61384229
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine
SMILESCn1cnc(S(=O)(=O)N2CCOCC2(C)C)c1Cl
InChIInChI=1S/C10H16ClN3O3S/c1-10(2)6-17-5-4-14(10)18(15,16)9-8(11)13(3)7-12-9/h7H,4-6H2,1-3H3
InChIKeyRYDRXRIYSVPPLL-UHFFFAOYSA-N
XLogP0.87
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine?
The IUPAC name of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine (CID 61384229) is 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine?
The canonical SMILES for 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine is Cn1cnc(S(=O)(=O)N2CCOCC2(C)C)c1Cl.
What is the InChIKey of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine?
The InChIKey is RYDRXRIYSVPPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-10(2)6-17-5-4-14(10)18(15,16)9-8(11)13(3)7-12-9/h7H,4-6H2,1-3H3.
What are the key properties of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine?
4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine has a molecular weight of 293.78 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,3-dimethylmorpholine is sourced from PubChem (CID 61384229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).