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

C11H21N5O2S — CID 60813192

IUPAC3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C11H21N5O2S/c1-3-16-6-4-5-9(16)7-13-19(17,18)10-8-15(2)14-11(10)12/h8-9,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyKVUIIHPXULKIOA-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.24
Rot. Bonds5

About 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide

3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 60813192) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID60813192
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C11H21N5O2S/c1-3-16-6-4-5-9(16)7-13-19(17,18)10-8-15(2)14-11(10)12/h8-9,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyKVUIIHPXULKIOA-UHFFFAOYSA-N
XLogP-0.24
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106022301
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 43109838
4-amino-2,6-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 43257821
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383127
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 23151964
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80744951
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
methyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 95068807
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide (CID 60813192) is 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide is CCN1CCCC1CNS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is KVUIIHPXULKIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-3-16-6-4-5-9(16)7-13-19(17,18)10-8-15(2)14-11(10)12/h8-9,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide?
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60813192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).