[(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone

C16H20N4OS — CID 124947110

IUPAC[(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccsc2)n1
InChIInChI=1S/C16H20N4OS/c1-19(2)10-13-8-17-9-14(18-13)15-4-3-6-20(15)16(21)12-5-7-22-11-12/h5,7-9,11,15H,3-4,6,10H2,1-2H3/t15-/m0/s1
InChIKeyCDKMWVFEENQTMP-HNNXBMFYSA-N
MW316.43 g/mol
LogP2.58
Rot. Bonds4

About [(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone

[(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 124947110) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is [(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID124947110
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name[(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccsc2)n1
InChIInChI=1S/C16H20N4OS/c1-19(2)10-13-8-17-9-14(18-13)15-4-3-6-20(15)16(21)12-5-7-22-11-12/h5,7-9,11,15H,3-4,6,10H2,1-2H3/t15-/m0/s1
InChIKeyCDKMWVFEENQTMP-HNNXBMFYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 110107647
1-[(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 124940231
N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine
CID 110116694
(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 124977694
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124949823
1-[6-[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-N,N-dimethylmethanamine
CID 124977315
1-[2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110117305
1-[(2S)-2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124940144
N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 134026773
N-[[6-[(2R)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839584
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 94617936

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 124947110) is [(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone is CN(C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccsc2)n1.
What is the InChIKey of [(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is CDKMWVFEENQTMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-19(2)10-13-8-17-9-14(18-13)15-4-3-6-20(15)16(21)12-5-7-22-11-12/h5,7-9,11,15H,3-4,6,10H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 316.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 124947110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).