N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide

C11H20N4O2S — CID 71927258

IUPACN-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CN(C)CC2C)cn1
InChIInChI=1S/C11H20N4O2S/c1-4-15-7-10(5-12-15)18(16,17)13-11-8-14(3)6-9(11)2/h5,7,9,11,13H,4,6,8H2,1-3H3
InChIKeyDLJBKOOUONMJSS-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.13
Rot. Bonds4

About N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide

N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 71927258) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide
PubChem CID71927258
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CN(C)CC2C)cn1
InChIInChI=1S/C11H20N4O2S/c1-4-15-7-10(5-12-15)18(16,17)13-11-8-14(3)6-9(11)2/h5,7,9,11,13H,4,6,8H2,1-3H3
InChIKeyDLJBKOOUONMJSS-UHFFFAOYSA-N
XLogP0.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide (CID 71927258) is N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CN(C)CC2C)cn1.
What is the InChIKey of N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is DLJBKOOUONMJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-15-7-10(5-12-15)18(16,17)13-11-8-14(3)6-9(11)2/h5,7,9,11,13H,4,6,8H2,1-3H3.
What are the key properties of N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide?
N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71927258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).