N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide

C13H26N4O3S — CID 81064534

IUPACN-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
SMILESCNCCCn1cc(S(=O)(=O)N(C)CCOC(C)C)cn1
InChIInChI=1S/C13H26N4O3S/c1-12(2)20-9-8-16(4)21(18,19)13-10-15-17(11-13)7-5-6-14-3/h10-12,14H,5-9H2,1-4H3
InChIKeyNYCMPDWFHCNNMN-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.54
Rot. Bonds10

About N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide

N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide (PubChem CID 81064534) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
PubChem CID81064534
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC NameN-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
SMILESCNCCCn1cc(S(=O)(=O)N(C)CCOC(C)C)cn1
InChIInChI=1S/C13H26N4O3S/c1-12(2)20-9-8-16(4)21(18,19)13-10-15-17(11-13)7-5-6-14-3/h10-12,14H,5-9H2,1-4H3
InChIKeyNYCMPDWFHCNNMN-UHFFFAOYSA-N
XLogP0.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 81067928
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484
N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79864992
1-[3-(ethylamino)propyl]-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 115988388
N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 102998589
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
4-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791714
1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 112667312
N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
CID 106084613
1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075263

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide (CID 81064534) is N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide is CNCCCn1cc(S(=O)(=O)N(C)CCOC(C)C)cn1.
What is the InChIKey of N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide?
The InChIKey is NYCMPDWFHCNNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-12(2)20-9-8-16(4)21(18,19)13-10-15-17(11-13)7-5-6-14-3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide?
N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 0.54, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 81064534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).