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

C9H14N6O2S2 — CID 103332316

IUPAC2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCc1cc2c(NCCS(N)(=O)=O)nc(NN)nc2s1
InChIInChI=1S/C9H14N6O2S2/c1-5-4-6-7(12-2-3-19(11,16)17)13-9(15-10)14-8(6)18-5/h4H,2-3,10H2,1H3,(H2,11,16,17)(H2,12,13,14,15)
InChIKeyRFDBATIXZUVFRL-UHFFFAOYSA-N
MW302.39 g/mol
LogP-0.01
Rot. Bonds5

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

2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 103332316) has the molecular formula C9H14N6O2S2 and a molecular weight of 302.39 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID103332316
Molecular FormulaC9H14N6O2S2
Molecular Weight302.39 g/mol
Exact Mass302.06
IUPAC Name2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide
SMILESCc1cc2c(NCCS(N)(=O)=O)nc(NN)nc2s1
InChIInChI=1S/C9H14N6O2S2/c1-5-4-6-7(12-2-3-19(11,16)17)13-9(15-10)14-8(6)18-5/h4H,2-3,10H2,1H3,(H2,11,16,17)(H2,12,13,14,15)
InChIKeyRFDBATIXZUVFRL-UHFFFAOYSA-N
XLogP-0.01
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 5-0.01
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'}

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Related Compounds

N-[2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 103332314
N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332464
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854
2-hydrazinyl-6-methyl-N-(3-propoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335525
2-hydrazinyl-6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106043581
1-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103332256
N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103333491
4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181879
2-hydrazinyl-6-methyl-N-(2,3,3-trimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335556
3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334447
2-hydrazinyl-6-methyl-N-(2,4,4-trimethylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333150

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide (CID 103332316) is 2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide is Cc1cc2c(NCCS(N)(=O)=O)nc(NN)nc2s1.
What is the InChIKey of 2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is RFDBATIXZUVFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S2/c1-5-4-6-7(12-2-3-19(11,16)17)13-9(15-10)14-8(6)18-5/h4H,2-3,10H2,1H3,(H2,11,16,17)(H2,12,13,14,15).
What are the key properties of 2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide?
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 302.39 g/mol, XLogP of -0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 103332316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).