dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium

C21H30N3O3S+ — CID 8779487

IUPACdimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
SMILESC[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C[NH+](C)C
InChIInChI=1S/C21H29N3O3S/c1-16(15-23(2)3)14-22-21(25)20-9-6-12-24(20)28(26,27)19-11-10-17-7-4-5-8-18(17)13-19/h4-5,7-8,10-11,13,16,20H,6,9,12,14-15H2,1-3H3,(H,22,25)/p+1/t16-,20+/m0/s1
InChIKeyIHSBILSRRIMFQC-OXJNMPFZSA-O
MW404.56 g/mol
LogP0.89
Rot. Bonds7

About dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium

dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium (PubChem CID 8779487) has the molecular formula C21H30N3O3S+ and a molecular weight of 404.56 g/mol. Its IUPAC name is dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
PubChem CID8779487
Molecular FormulaC21H30N3O3S+
Molecular Weight404.56 g/mol
Exact Mass404.20
IUPAC Namedimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
SMILESC[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C[NH+](C)C
InChIInChI=1S/C21H29N3O3S/c1-16(15-23(2)3)14-22-21(25)20-9-6-12-24(20)28(26,27)19-11-10-17-7-4-5-8-18(17)13-19/h4-5,7-8,10-11,13,16,20H,6,9,12,14-15H2,1-3H3,(H,22,25)/p+1/t16-,20+/m0/s1
InChIKeyIHSBILSRRIMFQC-OXJNMPFZSA-O
XLogP0.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium with MolForge

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Related Compounds

[(2S)-3-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-2-methylpropyl]-dimethylazanium
CID 8794954
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2R)-1-naphthalen-2-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 990825
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
1-naphthalen-2-ylsulfonyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 3497150
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 8779523
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
(2S)-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8779741
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium?
The IUPAC name of dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium (CID 8779487) is dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium.
What is the SMILES notation for dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium?
The canonical SMILES for dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium is C[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C[NH+](C)C.
What is the InChIKey of dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium?
The InChIKey is IHSBILSRRIMFQC-OXJNMPFZSA-O. The full InChI is InChI=1S/C21H29N3O3S/c1-16(15-23(2)3)14-22-21(25)20-9-6-12-24(20)28(26,27)19-11-10-17-7-4-5-8-18(17)13-19/h4-5,7-8,10-11,13,16,20H,6,9,12,14-15H2,1-3H3,(H,22,25)/p+1/t16-,20+/m0/s1.
What are the key properties of dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium?
dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium has a molecular weight of 404.56 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium is sourced from PubChem (CID 8779487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).