2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol

C17H22N2O3S — CID 143369570

IUPAC2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol
SMILESCN(CCO)[C@@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2O3S/c1-18(10-11-20)16-8-9-19(13-16)23(21,22)17-7-6-14-4-2-3-5-15(14)12-17/h2-7,12,16,20H,8-11,13H2,1H3/t16-/m1/s1
InChIKeyRVBHRZIVYOBDGK-MRXNPFEDSA-N
MW334.44 g/mol
LogP1.53
Rot. Bonds5

About 2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol

2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol (PubChem CID 143369570) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol
PubChem CID143369570
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol
SMILESCN(CCO)[C@@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H22N2O3S/c1-18(10-11-20)16-8-9-19(13-16)23(21,22)17-7-6-14-4-2-3-5-15(14)12-17/h2-7,12,16,20H,8-11,13H2,1H3/t16-/m1/s1
InChIKeyRVBHRZIVYOBDGK-MRXNPFEDSA-N
XLogP1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine
CID 70948532
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989319
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55710323
2-[[(3R)-1-[2,6-difluoro-4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]-methylamino]ethanol
CID 143369454
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
4-methylsulfonyloxy-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 22671829
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol (CID 143369570) is 2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol is CN(CCO)[C@@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol?
The InChIKey is RVBHRZIVYOBDGK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-18(10-11-20)16-8-9-19(13-16)23(21,22)17-7-6-14-4-2-3-5-15(14)12-17/h2-7,12,16,20H,8-11,13H2,1H3/t16-/m1/s1.
What are the key properties of 2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol?
2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol has a molecular weight of 334.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol is sourced from PubChem (CID 143369570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).