4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen

C12H17N3O3S — CID 142983845

IUPAC4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
SMILESCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1.[H][H]
InChIInChI=1S/C12H15N3O3S.H2/c1-9-13-11-3-2-10(8-12(11)14-9)19(16,17)15-4-6-18-7-5-15;/h2-3,8H,4-7H2,1H3,(H,13,14);1H
InChIKeyWDTSKSWLRAPADT-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.14
Rot. Bonds2

About 4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen

4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen (PubChem CID 142983845) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen.

Molecular Properties

Compound Name4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
PubChem CID142983845
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
SMILESCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1.[H][H]
InChIInChI=1S/C12H15N3O3S.H2/c1-9-13-11-3-2-10(8-12(11)14-9)19(16,17)15-4-6-18-7-5-15;/h2-3,8H,4-7H2,1H3,(H,13,14);1H
InChIKeyWDTSKSWLRAPADT-UHFFFAOYSA-N
XLogP1.14
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 103597241
2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole
CID 110643432
3-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)propanoate
CID 2117488
4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 117058420
4-[[2-[(2-ethylphenoxy)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine
CID 2380869
methyl 4-[(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate
CID 2377955
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole
CID 110643459
2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4008920
methyl 2-(4-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylate
CID 103597300
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643427
4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
CID 847943

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen?
The IUPAC name of 4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen (CID 142983845) is 4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen.
What is the SMILES notation for 4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen?
The canonical SMILES for 4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen is Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1.[H][H].
What is the InChIKey of 4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen?
The InChIKey is WDTSKSWLRAPADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S.H2/c1-9-13-11-3-2-10(8-12(11)14-9)19(16,17)15-4-6-18-7-5-15;/h2-3,8H,4-7H2,1H3,(H,13,14);1H.
What are the key properties of 4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen?
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen has a molecular weight of 283.35 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen is sourced from PubChem (CID 142983845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).