N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide

C17H24N4O2S — CID 124739764

IUPACN-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccnn1C)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H24N4O2S/c1-14(19-24(22,23)17-8-10-18-20(17)2)16-9-11-21(13-16)12-15-6-4-3-5-7-15/h3-8,10,14,16,19H,9,11-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyTXMDFIGMVJBYMQ-GOEBONIOSA-N
MW348.47 g/mol
LogP1.61
Rot. Bonds6

About N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide

N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 124739764) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide
PubChem CID124739764
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccnn1C)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H24N4O2S/c1-14(19-24(22,23)17-8-10-18-20(17)2)16-9-11-21(13-16)12-15-6-4-3-5-7-15/h3-8,10,14,16,19H,9,11-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyTXMDFIGMVJBYMQ-GOEBONIOSA-N
XLogP1.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide
CID 124739763
N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine
CID 125137183
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1,3-dithiolane-2-carboxamide
CID 125137166
1-(1-benzylpyrrolidin-3-yl)ethylthiourea
CID 131219663
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
CID 97341089
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 125137212
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124862687
N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104709386
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide (CID 124739764) is N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccnn1C)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is TXMDFIGMVJBYMQ-GOEBONIOSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-14(19-24(22,23)17-8-10-18-20(17)2)16-9-11-21(13-16)12-15-6-4-3-5-7-15/h3-8,10,14,16,19H,9,11-13H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide?
N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 124739764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).