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

C11H20N4O3S — CID 82745524

IUPACN,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C11H20N4O3S/c1-8-11(10(6-12-2)14-13-8)19(16,17)15(3)9-4-5-18-7-9/h9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyCDKHVCDZWSLPAN-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.15
Rot. Bonds5

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

N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 82745524) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID82745524
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C11H20N4O3S/c1-8-11(10(6-12-2)14-13-8)19(16,17)15(3)9-4-5-18-7-9/h9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyCDKHVCDZWSLPAN-UHFFFAOYSA-N
XLogP-0.15
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide
CID 82746159
5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106065204
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746069
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyridine-2-sulfonamide
CID 82745069
2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82748707
2-bromo-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82746071
4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 107329077
3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106505264
5-methyl-N-(oxolan-3-yl)-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106072521
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
5-methyl-3-(methylaminomethyl)-N-(3-methylcyclobutyl)-1H-pyrazole-4-sulfonamide
CID 113467562

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide (CID 82745524) is N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide is CNCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCOC1.
What is the InChIKey of N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is CDKHVCDZWSLPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8-11(10(6-12-2)14-13-8)19(16,17)15(3)9-4-5-18-7-9/h9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide?
N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.15, 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-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 82745524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).