N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide

C14H21N5O2S — CID 110100243

IUPACN,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide
SMILESCNc1nc(C2CCN(S(=O)(=O)N(C)C)C2)cn2cccc12
InChIInChI=1S/C14H21N5O2S/c1-15-14-13-5-4-7-18(13)10-12(16-14)11-6-8-19(9-11)22(20,21)17(2)3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,15,16)
InChIKeyPEKRMHXJXZEPTH-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.97
Rot. Bonds4

About N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide

N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide (PubChem CID 110100243) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide
PubChem CID110100243
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide
SMILESCNc1nc(C2CCN(S(=O)(=O)N(C)C)C2)cn2cccc12
InChIInChI=1S/C14H21N5O2S/c1-15-14-13-5-4-7-18(13)10-12(16-14)11-6-8-19(9-11)22(20,21)17(2)3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,15,16)
InChIKeyPEKRMHXJXZEPTH-UHFFFAOYSA-N
XLogP0.97
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide (CID 110100243) is N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide is CNc1nc(C2CCN(S(=O)(=O)N(C)C)C2)cn2cccc12.
What is the InChIKey of N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide?
The InChIKey is PEKRMHXJXZEPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-15-14-13-5-4-7-18(13)10-12(16-14)11-6-8-19(9-11)22(20,21)17(2)3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,15,16).
What are the key properties of N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide?
N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110100243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).