N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide

C12H17N3O2S — CID 53144756

IUPACN-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cn(C)c2ncccc12
InChIInChI=1S/C12H17N3O2S/c1-3-18(16,17)14-8-6-10-9-15(2)12-11(10)5-4-7-13-12/h4-5,7,9,14H,3,6,8H2,1-2H3
InChIKeyYAKURPMDIBDHIX-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.06
Rot. Bonds5

About N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide

N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide (PubChem CID 53144756) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
PubChem CID53144756
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cn(C)c2ncccc12
InChIInChI=1S/C12H17N3O2S/c1-3-18(16,17)14-8-6-10-9-15(2)12-11(10)5-4-7-13-12/h4-5,7,9,14H,3,6,8H2,1-2H3
InChIKeyYAKURPMDIBDHIX-UHFFFAOYSA-N
XLogP1.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide (CID 53144756) is N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1cn(C)c2ncccc12.
What is the InChIKey of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide?
The InChIKey is YAKURPMDIBDHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-18(16,17)14-8-6-10-9-15(2)12-11(10)5-4-7-13-12/h4-5,7,9,14H,3,6,8H2,1-2H3.
What are the key properties of N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide?
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 53144756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).