(2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine

C19H29NO2S — CID 97225607

IUPAC(2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
SMILESCS(=O)(=O)CCCCN1CCC[C@H]1[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H29NO2S/c1-23(21,22)15-5-4-13-20-14-7-12-19(20)18-11-6-9-16-8-2-3-10-17(16)18/h2-3,8,10,18-19H,4-7,9,11-15H2,1H3/t18-,19+/m1/s1
InChIKeyGMYMFWXGMSIVJE-MOPGFXCFSA-N
MW335.51 g/mol
LogP3.40
Rot. Bonds6

About (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine

(2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine (PubChem CID 97225607) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
PubChem CID97225607
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC Name(2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
SMILESCS(=O)(=O)CCCCN1CCC[C@H]1[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H29NO2S/c1-23(21,22)15-5-4-13-20-14-7-12-19(20)18-11-6-9-16-8-2-3-10-17(16)18/h2-3,8,10,18-19H,4-7,9,11-15H2,1H3/t18-,19+/m1/s1
InChIKeyGMYMFWXGMSIVJE-MOPGFXCFSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
CID 84585850
N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
CID 71923230
N-[4-[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]butyl]-4-phenylbenzamide
CID 54162462
N-methyl-6-(3-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63191536
2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 86813621
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339524
1-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfonylbutan-1-one
CID 65407807
2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one
CID 84595125
1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47765775
(4aR,10bR)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 14151592
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
The IUPAC name of (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine (CID 97225607) is (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine.
What is the SMILES notation for (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
The canonical SMILES for (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine is CS(=O)(=O)CCCCN1CCC[C@H]1[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
The InChIKey is GMYMFWXGMSIVJE-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-23(21,22)15-5-4-13-20-14-7-12-19(20)18-11-6-9-16-8-2-3-10-17(16)18/h2-3,8,10,18-19H,4-7,9,11-15H2,1H3/t18-,19+/m1/s1.
What are the key properties of (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
(2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine has a molecular weight of 335.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine is sourced from PubChem (CID 97225607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).