N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide

C11H22N4O2S — CID 56780256

IUPACN,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide
SMILESCc1cnn(CCNCCCS(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H22N4O2S/c1-11-9-13-15(10-11)7-6-12-5-4-8-18(16,17)14(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyYMCJDCIBQVGUGR-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.06
Rot. Bonds8

About N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide

N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide (PubChem CID 56780256) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide
PubChem CID56780256
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide
SMILESCc1cnn(CCNCCCS(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H22N4O2S/c1-11-9-13-15(10-11)7-6-12-5-4-8-18(16,17)14(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyYMCJDCIBQVGUGR-UHFFFAOYSA-N
XLogP0.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide (CID 56780256) is N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide is Cc1cnn(CCNCCCS(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide?
The InChIKey is YMCJDCIBQVGUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-11-9-13-15(10-11)7-6-12-5-4-8-18(16,17)14(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide?
N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide is sourced from PubChem (CID 56780256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).