N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C11H17N5O2S2 — CID 103327980

IUPACN-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(N)nc2sccc12)NS(C)(=O)=O
InChIInChI=1S/C11H17N5O2S2/c1-11(2,16-20(3,17)18)6-13-8-7-4-5-19-9(7)15-10(12)14-8/h4-5,16H,6H2,1-3H3,(H3,12,13,14,15)
InChIKeyGIAVFSYXPVLZBF-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.01
Rot. Bonds5

About N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 103327980) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID103327980
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC NameN-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(N)nc2sccc12)NS(C)(=O)=O
InChIInChI=1S/C11H17N5O2S2/c1-11(2,16-20(3,17)18)6-13-8-7-4-5-19-9(7)15-10(12)14-8/h4-5,16H,6H2,1-3H3,(H3,12,13,14,15)
InChIKeyGIAVFSYXPVLZBF-UHFFFAOYSA-N
XLogP1.01
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 103333795
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327918
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430
4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983
4-N-[(6-methyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327165
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 103327980) is N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1nc(N)nc2sccc12)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is GIAVFSYXPVLZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-11(2,16-20(3,17)18)6-13-8-7-4-5-19-9(7)15-10(12)14-8/h4-5,16H,6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 103327980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).