7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide

C18H24N4O2S — CID 125003637

IUPAC7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)17(24)22-9-6-11(10-22)12-13-15(20-8-7-19-13)25-14(12)16(23)21(4)5/h7-8,11H,6,9-10H2,1-5H3/t11-/m1/s1
InChIKeySSZWEFRBLMPBBY-LLVKDONJSA-N
MW360.48 g/mol
LogP2.76
Rot. Bonds2

About 7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide

7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 125003637) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID125003637
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)17(24)22-9-6-11(10-22)12-13-15(20-8-7-19-13)25-14(12)16(23)21(4)5/h7-8,11H,6,9-10H2,1-5H3/t11-/m1/s1
InChIKeySSZWEFRBLMPBBY-LLVKDONJSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide (CID 125003637) is 7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide is CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is SSZWEFRBLMPBBY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-18(2,3)17(24)22-9-6-11(10-22)12-13-15(20-8-7-19-13)25-14(12)16(23)21(4)5/h7-8,11H,6,9-10H2,1-5H3/t11-/m1/s1.
What are the key properties of 7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide?
7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 125003637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).