1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one

C18H20N4O3S — CID 122610643

IUPAC1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one
SMILESCS(=O)(=O)N1CC2(C1)C(=O)N(Cc1nc3c([nH]1)CCC3)c1ccccc12
InChIInChI=1S/C18H20N4O3S/c1-26(24,25)21-10-18(11-21)12-5-2-3-8-15(12)22(17(18)23)9-16-19-13-6-4-7-14(13)20-16/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,19,20)
InChIKeyARVHZVSEVDTVMT-UHFFFAOYSA-N
MW372.45 g/mol
LogP0.96
Rot. Bonds3

About 1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one

1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one (PubChem CID 122610643) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one
PubChem CID122610643
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one
SMILESCS(=O)(=O)N1CC2(C1)C(=O)N(Cc1nc3c([nH]1)CCC3)c1ccccc12
InChIInChI=1S/C18H20N4O3S/c1-26(24,25)21-10-18(11-21)12-5-2-3-8-15(12)22(17(18)23)9-16-19-13-6-4-7-14(13)20-16/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,19,20)
InChIKeyARVHZVSEVDTVMT-UHFFFAOYSA-N
XLogP0.96
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-1'-[[3-(4,4,4-trifluorobutyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one
CID 122610655
1'-(2,2-dimethoxyethyl)spiro[cyclopropane-1,3'-indole]-2'-one;1'-[[1-(4-hydroxybutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one;2-(2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)acetaldehyde;spiro[1H-indole-3,1'-cyclopropane]-2-one;1'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 158542013
2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile
CID 97400115
methane;propan-2-yl 5'-bromo-1'-[[1-(4-hydroxybutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 5'-bromo-2'-oxo-1'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-1-carboxylate
CID 158204099
propan-2-yl 1'-[(1-butyl-7-hydroxy-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 1'-[(4-hydroxy-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 1'-[[7-hydroxy-1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 2'-oxo-1'-[(4-oxo-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]spiro[azetidine-3,3'-indole]-1-carboxylate
CID 158282451
1'-[[1-(3-hydroxybutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylic acid
CID 139484390
1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 91904611
ethyl 1'-[[1-(4-fluorobutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate
CID 122664569
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904617
1'-[[4-[4-(methanesulfonamido)phenyl]isoquinolin-3-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylic acid
CID 175054470
2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594297

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one?
The IUPAC name of 1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one (CID 122610643) is 1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one.
What is the SMILES notation for 1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one?
The canonical SMILES for 1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one is CS(=O)(=O)N1CC2(C1)C(=O)N(Cc1nc3c([nH]1)CCC3)c1ccccc12.
What is the InChIKey of 1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one?
The InChIKey is ARVHZVSEVDTVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-26(24,25)21-10-18(11-21)12-5-2-3-8-15(12)22(17(18)23)9-16-19-13-6-4-7-14(13)20-16/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,19,20).
What are the key properties of 1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one?
1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one has a molecular weight of 372.45 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethyl)spiro[azetidine-3,3'-indole]-2'-one is sourced from PubChem (CID 122610643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).