N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide

C12H22N4O3S — CID 82746159

IUPACN,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCOC1C
InChIInChI=1S/C12H22N4O3S/c1-8-12(10(7-13-3)15-14-8)20(17,18)16(4)11-5-6-19-9(11)2/h9,11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyFRWSHSHTBCLWHQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.24
Rot. Bonds5

About N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide

N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 82746159) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID82746159
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCOC1C
InChIInChI=1S/C12H22N4O3S/c1-8-12(10(7-13-3)15-14-8)20(17,18)16(4)11-5-6-19-9(11)2/h9,11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyFRWSHSHTBCLWHQ-UHFFFAOYSA-N
XLogP0.24
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide
CID 82745524
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748477
2-fluoro-N-methyl-5-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82749260
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82744478
2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754636
5-methyl-3-(methylaminomethyl)-N-(3-methylcyclobutyl)-1H-pyrazole-4-sulfonamide
CID 113467562
5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106065204
6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82740652
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
CID 83224009
2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82741144

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide (CID 82746159) is N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide is CNCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCOC1C.
What is the InChIKey of N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FRWSHSHTBCLWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-8-12(10(7-13-3)15-14-8)20(17,18)16(4)11-5-6-19-9(11)2/h9,11,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide?
N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 82746159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).