N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide

C12H23N4O2S+ — CID 9193192

IUPACN,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C[NH+]2CCCC2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C12H22N4O2S/c1-10-12(19(17,18)14(3)4)11(2)16(13-10)9-15-7-5-6-8-15/h5-9H2,1-4H3/p+1
InChIKeyHTLGRECXGUUDEV-UHFFFAOYSA-O
MW287.41 g/mol
LogP-0.61
Rot. Bonds4

About N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide

N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 9193192) has the molecular formula C12H23N4O2S+ and a molecular weight of 287.41 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide
PubChem CID9193192
Molecular FormulaC12H23N4O2S+
Molecular Weight287.41 g/mol
Exact Mass287.15
IUPAC NameN,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C[NH+]2CCCC2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C12H22N4O2S/c1-10-12(19(17,18)14(3)4)11(2)16(13-10)9-15-7-5-6-8-15/h5-9H2,1-4H3/p+1
InChIKeyHTLGRECXGUUDEV-UHFFFAOYSA-O
XLogP-0.61
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide (CID 9193192) is N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C[NH+]2CCCC2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is HTLGRECXGUUDEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22N4O2S/c1-10-12(19(17,18)14(3)4)11(2)16(13-10)9-15-7-5-6-8-15/h5-9H2,1-4H3/p+1.
What are the key properties of N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide?
N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 287.41 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 9193192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).