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

C12H22N4O2S — CID 9193193

IUPACN,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(CN2CCCC2)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
InChIKeyHTLGRECXGUUDEV-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.80
Rot. Bonds4

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

N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 9193193) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide
PubChem CID9193193
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(CN2CCCC2)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
InChIKeyHTLGRECXGUUDEV-UHFFFAOYSA-N
XLogP0.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide (CID 9193193) is N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(CN2CCCC2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is HTLGRECXGUUDEV-UHFFFAOYSA-N. 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.
What are the key properties of N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide?
N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 9193193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).