1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea

C16H23N3O3S — CID 122142432

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea
SMILESCS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C16H23N3O3S/c1-23(21,22)19-8-4-7-15(19)11-17-16(20)18-14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14-15H,4,7-11H2,1H3,(H2,17,18,20)/t15-/m1/s1
InChIKeyWUEPJYLFKAOEAC-OAHLLOKOSA-N
MW337.44 g/mol
LogP0.88
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea

1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea (PubChem CID 122142432) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea
PubChem CID122142432
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea
SMILESCS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C16H23N3O3S/c1-23(21,22)19-8-4-7-15(19)11-17-16(20)18-14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14-15H,4,7-11H2,1H3,(H2,17,18,20)/t15-/m1/s1
InChIKeyWUEPJYLFKAOEAC-OAHLLOKOSA-N
XLogP0.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea with MolForge

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Related Compounds

(S)-N-(2,3-dihydro-1H-inden-2-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418550
4-cyclopentyl-N-(2,3-dihydro-1H-inden-2-yl)piperazine-1-carboxamide
CID 44418558
N-(2,3-dihydro-1H-inden-2-yl)-4-isopropylpiperazine-1-carboxamide
CID 44418559
N-(2,3-dihydro-1H-inden-2-yl)-4-ethylpiperazine-1-carboxamide
CID 44418565
N-(3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl)methanesulfonamide
CID 71784664
N-(3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl)ethanesulfonamide
CID 71784665
N-(3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl)propane-2-sulfonamide
CID 71784670
(3S*,4R*)-3-{[(dimethylamino)sulfonyl]amino}-4-isopropyl-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 72905741
N-[(3R,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 72928433
3-(1-Methanesulfonylpiperidin-4-YL)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 91910325
(3S,4R)-3-[(2,3-dihydro-1H-inden-5-ylsulfonyl)amino]-4-[(dimethylamino)methyl]-N-methyltetrahydro-1H-pyrrole-1-carboxamide
CID 91923080
1-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-ethylurea
CID 42565733

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea (CID 122142432) is 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea is CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea?
The InChIKey is WUEPJYLFKAOEAC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-23(21,22)19-8-4-7-15(19)11-17-16(20)18-14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14-15H,4,7-11H2,1H3,(H2,17,18,20)/t15-/m1/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea has a molecular weight of 337.44 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]urea is sourced from PubChem (CID 122142432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).