N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide

C11H18N6O2S2 — CID 106332464

IUPACN-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCc1cc2c(NCCCNS(C)(=O)=O)nc(NN)nc2s1
InChIInChI=1S/C11H18N6O2S2/c1-7-6-8-9(13-4-3-5-14-21(2,18)19)15-11(17-12)16-10(8)20-7/h6,14H,3-5,12H2,1-2H3,(H2,13,15,16,17)
InChIKeyHGXUXTZAHDGOKG-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.64
Rot. Bonds7

About N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide

N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 106332464) has the molecular formula C11H18N6O2S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID106332464
Molecular FormulaC11H18N6O2S2
Molecular Weight330.44 g/mol
Exact Mass330.09
IUPAC NameN-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCc1cc2c(NCCCNS(C)(=O)=O)nc(NN)nc2s1
InChIInChI=1S/C11H18N6O2S2/c1-7-6-8-9(13-4-3-5-14-21(2,18)19)15-11(17-12)16-10(8)20-7/h6,14H,3-5,12H2,1-2H3,(H2,13,15,16,17)
InChIKeyHGXUXTZAHDGOKG-UHFFFAOYSA-N
XLogP0.64
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide (CID 106332464) is N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide is Cc1cc2c(NCCCNS(C)(=O)=O)nc(NN)nc2s1.
What is the InChIKey of N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is HGXUXTZAHDGOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S2/c1-7-6-8-9(13-4-3-5-14-21(2,18)19)15-11(17-12)16-10(8)20-7/h6,14H,3-5,12H2,1-2H3,(H2,13,15,16,17).
What are the key properties of N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide?
N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 330.44 g/mol, XLogP of 0.64, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).