5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine

C15H21ClN2O2S — CID 75497169

IUPAC5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)N1CCC[C@@H]1CNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O2S/c1-21(19,20)18-8-2-3-13(18)10-17-15-7-4-11-9-12(16)5-6-14(11)15/h5-6,9,13,15,17H,2-4,7-8,10H2,1H3/t13-,15?/m1/s1
InChIKeyMTEYRSYQUBXHDK-AFYYWNPRSA-N
MW328.87 g/mol
LogP2.34
Rot. Bonds4

About 5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine

5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 75497169) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID75497169
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)N1CCC[C@@H]1CNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O2S/c1-21(19,20)18-8-2-3-13(18)10-17-15-7-4-11-9-12(16)5-6-14(11)15/h5-6,9,13,15,17H,2-4,7-8,10H2,1H3/t13-,15?/m1/s1
InChIKeyMTEYRSYQUBXHDK-AFYYWNPRSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 75370041
4,6-dichloro-N-(4-methylsulfonylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 75434117
(3S)-1-[(4-chloro-2-methylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
CID 99855669
N-[2-[1-(3-chloro-4-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 43208202
N-[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methanesulfonamide
CID 75388905
N-[2-[1-(4-chloro-3-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 82994364
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methanesulfonamide
CID 97242249
N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methanesulfonamide
CID 97242250
N-[(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methanesulfonamide
CID 124778274
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methanesulfonamide
CID 124778275
N-[2-[(6-chloro-5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzenesulfonamide
CID 154746285
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 167946353

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine (CID 75497169) is 5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine is CS(=O)(=O)N1CCC[C@@H]1CNC1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MTEYRSYQUBXHDK-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-21(19,20)18-8-2-3-13(18)10-17-15-7-4-11-9-12(16)5-6-14(11)15/h5-6,9,13,15,17H,2-4,7-8,10H2,1H3/t13-,15?/m1/s1.
What are the key properties of 5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 328.87 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 75497169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).