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

C11H18N6O2S2 — CID 103333795

IUPACN-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(NN)nc2sccc12)NS(C)(=O)=O
InChIInChI=1S/C11H18N6O2S2/c1-11(2,17-21(3,18)19)6-13-8-7-4-5-20-9(7)15-10(14-8)16-12/h4-5,17H,6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyBUUOOGHWZLDGDV-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.72
Rot. Bonds6

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

N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 103333795) has the molecular formula C11H18N6O2S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID103333795
Molecular FormulaC11H18N6O2S2
Molecular Weight330.44 g/mol
Exact Mass330.09
IUPAC NameN-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(NN)nc2sccc12)NS(C)(=O)=O
InChIInChI=1S/C11H18N6O2S2/c1-11(2,17-21(3,18)19)6-13-8-7-4-5-20-9(7)15-10(14-8)16-12/h4-5,17H,6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyBUUOOGHWZLDGDV-UHFFFAOYSA-N
XLogP0.72
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

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Related Compounds

N-[1-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 103327980
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334449
N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 103335219
N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 103335475
2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333992
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
[4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336022
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylpropanamide
CID 103333221
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
2-hydrazinyl-N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335722

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 103333795) is N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1nc(NN)nc2sccc12)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is BUUOOGHWZLDGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S2/c1-11(2,17-21(3,18)19)6-13-8-7-4-5-20-9(7)15-10(14-8)16-12/h4-5,17H,6,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 330.44 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 103333795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).