N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide

C12H16N4O2S2 — CID 154582771

IUPACN-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide
SMILESCN(C1CCN(c2ncnc3sccc23)C1)S(C)(=O)=O
InChIInChI=1S/C12H16N4O2S2/c1-15(20(2,17)18)9-3-5-16(7-9)11-10-4-6-19-12(10)14-8-13-11/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyOARAVJOBQJPOTH-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.16
Rot. Bonds3

About N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide

N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 154582771) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide
PubChem CID154582771
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC NameN-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide
SMILESCN(C1CCN(c2ncnc3sccc23)C1)S(C)(=O)=O
InChIInChI=1S/C12H16N4O2S2/c1-15(20(2,17)18)9-3-5-16(7-9)11-10-4-6-19-12(10)14-8-13-11/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyOARAVJOBQJPOTH-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163346392
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 166602913
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
CID 39817579
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[2,3-d]pyrimidine
CID 11936596
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 44632567
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582483
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 133342026

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide (CID 154582771) is N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide is CN(C1CCN(c2ncnc3sccc23)C1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is OARAVJOBQJPOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-15(20(2,17)18)9-3-5-16(7-9)11-10-4-6-19-12(10)14-8-13-11/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide?
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 154582771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).