N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide

C11H20N4O2S — CID 51080618

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H20N4O2S/c1-3-15-6-4-5-10(15)7-13-18(16,17)11-8-12-14(2)9-11/h8-10,13H,3-7H2,1-2H3
InChIKeyDBMBVQNDICHTPT-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.18
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 51080618) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID51080618
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H20N4O2S/c1-3-15-6-4-5-10(15)7-13-18(16,17)11-8-12-14(2)9-11/h8-10,13H,3-7H2,1-2H3
InChIKeyDBMBVQNDICHTPT-UHFFFAOYSA-N
XLogP0.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43511064
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 60813192
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258799
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 127266419
1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 71806786
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 23151964
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873540

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide (CID 51080618) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide is CCN1CCCC1CNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is DBMBVQNDICHTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-15-6-4-5-10(15)7-13-18(16,17)11-8-12-14(2)9-11/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 51080618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).