4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine

C13H17N3O3S — CID 973788

IUPAC4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine
SMILESCc1cc2ncn(S(=O)(=O)N3CCOCC3)c2cc1C
InChIInChI=1S/C13H17N3O3S/c1-10-7-12-13(8-11(10)2)16(9-14-12)20(17,18)15-3-5-19-6-4-15/h7-9H,3-6H2,1-2H3
InChIKeyHZMBSQPVGPKHFS-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.08
Rot. Bonds2

About 4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine

4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine (PubChem CID 973788) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine
PubChem CID973788
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine
SMILESCc1cc2ncn(S(=O)(=O)N3CCOCC3)c2cc1C
InChIInChI=1S/C13H17N3O3S/c1-10-7-12-13(8-11(10)2)16(9-14-12)20(17,18)15-3-5-19-6-4-15/h7-9H,3-6H2,1-2H3
InChIKeyHZMBSQPVGPKHFS-UHFFFAOYSA-N
XLogP1.08
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)sulfonylmorpholine
CID 2216936
5,6-dimethyl-1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylbenzimidazole
CID 3668875
N-(5-amino-3-methyl-2-pyridinyl)morpholine-4-sulfonamide
CID 112555542
azepan-1-yl-(5,6-dimethylbenzimidazol-1-yl)methanone
CID 2928818
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
3-(benzimidazol-1-yl)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)butan-1-one
CID 46979953
4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine
CID 27261564
4-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
CID 126858195
5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole
CID 115582514
4-(benzotriazol-1-ylsulfonyl)morpholine
CID 973787
N,N-bis(trimethylsilyl)morpholine-4-sulfonamide
CID 71399815
1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine?
The IUPAC name of 4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine (CID 973788) is 4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine?
The canonical SMILES for 4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine is Cc1cc2ncn(S(=O)(=O)N3CCOCC3)c2cc1C.
What is the InChIKey of 4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine?
The InChIKey is HZMBSQPVGPKHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-7-12-13(8-11(10)2)16(9-14-12)20(17,18)15-3-5-19-6-4-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine?
4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine has a molecular weight of 295.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine is sourced from PubChem (CID 973788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).