N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide

C11H17N5O2S2 — CID 106343363

IUPACN-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(NC)nc2sccc12
InChIInChI=1S/C11H17N5O2S2/c1-3-14-20(17,18)7-5-13-9-8-4-6-19-10(8)16-11(12-2)15-9/h4,6,14H,3,5,7H2,1-2H3,(H2,12,13,15,16)
InChIKeyVUEKTAXLRKKDBI-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.08
Rot. Bonds7

About N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide

N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 106343363) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID106343363
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC NameN-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(NC)nc2sccc12
InChIInChI=1S/C11H17N5O2S2/c1-3-14-20(17,18)7-5-13-9-8-4-6-19-10(8)16-11(12-2)15-9/h4,6,14H,3,5,7H2,1-2H3,(H2,12,13,15,16)
InChIKeyVUEKTAXLRKKDBI-UHFFFAOYSA-N
XLogP1.08
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide with MolForge

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Related Compounds

4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174
4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328357
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103324325
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 103325098
N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 103325026
N-ethyl-2-[[6-methyl-2-(methylamino)-5-nitropyrimidin-4-yl]amino]ethanesulfonamide
CID 106343428

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide (CID 106343363) is N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1nc(NC)nc2sccc12.
What is the InChIKey of N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is VUEKTAXLRKKDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-3-14-20(17,18)7-5-13-9-8-4-6-19-10(8)16-11(12-2)15-9/h4,6,14H,3,5,7H2,1-2H3,(H2,12,13,15,16).
What are the key properties of N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide?
N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106343363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).