[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone

C16H20N4O2S — CID 100617746

IUPAC[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CC[C@H](Oc3cncc(N(C)C)n3)C2)c1
InChIInChI=1S/C16H20N4O2S/c1-11-6-13(23-10-11)16(21)20-5-4-12(9-20)22-15-8-17-7-14(18-15)19(2)3/h6-8,10,12H,4-5,9H2,1-3H3/t12-/m0/s1
InChIKeyHXLGZUKZNVSUDG-LBPRGKRZSA-N
MW332.43 g/mol
LogP2.21
Rot. Bonds4

About [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone

[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 100617746) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID100617746
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CC[C@H](Oc3cncc(N(C)C)n3)C2)c1
InChIInChI=1S/C16H20N4O2S/c1-11-6-13(23-10-11)16(21)20-5-4-12(9-20)22-15-8-17-7-14(18-15)19(2)3/h6-8,10,12H,4-5,9H2,1-3H3/t12-/m0/s1
InChIKeyHXLGZUKZNVSUDG-LBPRGKRZSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 90637779
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 100619229
ethyl 3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 90637870
[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100632006
(4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
CID 122243361
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 91627088
4-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]benzonitrile
CID 100617659
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 90638060
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-indolizin-2-ylmethanone
CID 100618627
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-ethoxyethanone
CID 91627081
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 90637953
N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638058

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 100617746) is [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CC[C@H](Oc3cncc(N(C)C)n3)C2)c1.
What is the InChIKey of [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is HXLGZUKZNVSUDG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-6-13(23-10-11)16(21)20-5-4-12(9-20)22-15-8-17-7-14(18-15)19(2)3/h6-8,10,12H,4-5,9H2,1-3H3/t12-/m0/s1.
What are the key properties of [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 100617746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).