[(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium

C17H27ClN3O3S+ — CID 8794954

IUPAC[(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium
SMILESC[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C[NH+](C)C
InChIInChI=1S/C17H26ClN3O3S/c1-13(12-20(2)3)11-19-17(22)16-5-4-10-21(16)25(23,24)15-8-6-14(18)7-9-15/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,22)/p+1/t13-,16-/m0/s1
InChIKeyUCDZASBQQIZSJV-BBRMVZONSA-O
MW388.94 g/mol
LogP0.39
Rot. Bonds7

About [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium

[(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium (PubChem CID 8794954) has the molecular formula C17H27ClN3O3S+ and a molecular weight of 388.94 g/mol. Its IUPAC name is [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium.

Molecular Properties

Compound Name[(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium
PubChem CID8794954
Molecular FormulaC17H27ClN3O3S+
Molecular Weight388.94 g/mol
Exact Mass388.15
IUPAC Name[(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium
SMILESC[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C[NH+](C)C
InChIInChI=1S/C17H26ClN3O3S/c1-13(12-20(2)3)11-19-17(22)16-5-4-10-21(16)25(23,24)15-8-6-14(18)7-9-15/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,22)/p+1/t13-,16-/m0/s1
InChIKeyUCDZASBQQIZSJV-BBRMVZONSA-O
XLogP0.39
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium with MolForge

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Related Compounds

dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
CID 8779487
1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 3219681
(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 34230666
(2R)-2-methyl-3-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 97324577
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 8794951
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 31143327
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 31251791
1-(4-chlorophenyl)sulfonyl-N-(3-ethoxypropyl)pyrrolidine-2-carboxamide
CID 653737
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084851
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium?
The IUPAC name of [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium (CID 8794954) is [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium.
What is the SMILES notation for [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium?
The canonical SMILES for [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium is C[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C[NH+](C)C.
What is the InChIKey of [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium?
The InChIKey is UCDZASBQQIZSJV-BBRMVZONSA-O. The full InChI is InChI=1S/C17H26ClN3O3S/c1-13(12-20(2)3)11-19-17(22)16-5-4-10-21(16)25(23,24)15-8-6-14(18)7-9-15/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,22)/p+1/t13-,16-/m0/s1.
What are the key properties of [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium?
[(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium has a molecular weight of 388.94 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium is sourced from PubChem (CID 8794954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).