N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide

C11H20N4O3S — CID 131915211

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H20N4O3S/c1-18-5-4-15-3-2-10(9-15)6-14-19(16,17)11-7-12-13-8-11/h7-8,10,14H,2-6,9H2,1H3,(H,12,13)
InChIKeyRDKHEVOZGNXYAI-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.34
Rot. Bonds7

About N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 131915211) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID131915211
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H20N4O3S/c1-18-5-4-15-3-2-10(9-15)6-14-19(16,17)11-7-12-13-8-11/h7-8,10,14H,2-6,9H2,1H3,(H,12,13)
InChIKeyRDKHEVOZGNXYAI-UHFFFAOYSA-N
XLogP-0.34
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 125444048
N-[(1-propylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 122567194
4-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 131931555
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 16887649
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide
CID 16887611
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 131897813
N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106126673
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 16887608
1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 51597914
[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl methanesulfonate
CID 87320907
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-sulfonamide
CID 107420200

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide (CID 131915211) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide is COCCN1CCC(CNS(=O)(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is RDKHEVOZGNXYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-18-5-4-15-3-2-10(9-15)6-14-19(16,17)11-7-12-13-8-11/h7-8,10,14H,2-6,9H2,1H3,(H,12,13).
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 131915211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).