N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide

C13H19N5O2S — CID 56916773

IUPACN,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C13H19N5O2S/c1-16(2)21(19,20)18-9-7-17(8-10-18)12-4-3-11-5-6-14-13(11)15-12/h3-6H,7-10H2,1-2H3,(H,14,15)
InChIKeyAMYWBODJOROBQP-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.49
Rot. Bonds3

About N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide

N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide (PubChem CID 56916773) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide
PubChem CID56916773
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C13H19N5O2S/c1-16(2)21(19,20)18-9-7-17(8-10-18)12-4-3-11-5-6-14-13(11)15-12/h3-6H,7-10H2,1-2H3,(H,14,15)
InChIKeyAMYWBODJOROBQP-UHFFFAOYSA-N
XLogP0.49
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide (CID 56916773) is N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2ccc3cc[nH]c3n2)CC1.
What is the InChIKey of N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide?
The InChIKey is AMYWBODJOROBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-16(2)21(19,20)18-9-7-17(8-10-18)12-4-3-11-5-6-14-13(11)15-12/h3-6H,7-10H2,1-2H3,(H,14,15).
What are the key properties of N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 56916773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).