N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide

C14H26N4O2S — CID 133118794

IUPACN-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(CCCn2cccn2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C14H26N4O2S/c1-3-6-13-11-17(12-14(13)16-21(2,19)20)8-5-10-18-9-4-7-15-18/h4,7,9,13-14,16H,3,5-6,8,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyJVSHTRYIEGIYEI-ZIAGYGMSSA-N
MW314.45 g/mol
LogP0.92
Rot. Bonds8

About N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 133118794) has the molecular formula C14H26N4O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID133118794
Molecular FormulaC14H26N4O2S
Molecular Weight314.45 g/mol
Exact Mass314.18
IUPAC NameN-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(CCCn2cccn2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C14H26N4O2S/c1-3-6-13-11-17(12-14(13)16-21(2,19)20)8-5-10-18-9-4-7-15-18/h4,7,9,13-14,16H,3,5-6,8,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyJVSHTRYIEGIYEI-ZIAGYGMSSA-N
XLogP0.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133132819
N-[(3S,4R)-1-[(2-cyanophenyl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133130894
N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide
CID 110133177
N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70742263
N-[(3S,4R)-1-(2-imidazol-1-ylacetyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70739288
1-methylsulfonyl-4-(3-pyrazol-1-ylpropyl)-1,4-diazepane
CID 91833748
N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70726445
N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 156604706
N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
CID 112686403
trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 99638037
2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 91636175
2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
CID 133117836

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide (CID 133118794) is N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(CCCn2cccn2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is JVSHTRYIEGIYEI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-3-6-13-11-17(12-14(13)16-21(2,19)20)8-5-10-18-9-4-7-15-18/h4,7,9,13-14,16H,3,5-6,8,10-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 133118794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).