(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride

C14H17ClN2O2S — CID 119993487

IUPAC(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C14H16N2O2S.ClH/c15-13-7-8-16(10-13)19(17,18)14-6-5-11-3-1-2-4-12(11)9-14;/h1-6,9,13H,7-8,10,15H2;1H/t13-;/m0./s1
InChIKeyAABBUTUDNKWUAS-ZOWNYOTGSA-N
MW312.82 g/mol
LogP1.98
Rot. Bonds2

About (3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride

(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119993487) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is (3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119993487
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C14H16N2O2S.ClH/c15-13-7-8-16(10-13)19(17,18)14-6-5-11-3-1-2-4-12(11)9-14;/h1-6,9,13H,7-8,10,15H2;1H/t13-;/m0./s1
InChIKeyAABBUTUDNKWUAS-ZOWNYOTGSA-N
XLogP1.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride
CID 66727171
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
6-[(3S)-3-aminopyrrolidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119993407
3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989319
3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 141154020
3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine
CID 70948532
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 94340343
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 86814826

Frequently Asked Questions

What is the IUPAC name of (3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride (CID 119993487) is (3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of (3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is AABBUTUDNKWUAS-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H16N2O2S.ClH/c15-13-7-8-16(10-13)19(17,18)14-6-5-11-3-1-2-4-12(11)9-14;/h1-6,9,13H,7-8,10,15H2;1H/t13-;/m0./s1.
What are the key properties of (3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119993487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).