methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate

C10H14N2O3S — CID 164544883

IUPACmethyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(N)c(NC[C@@H]2CCO2)s1
InChIInChI=1S/C10H14N2O3S/c1-14-10(13)8-4-7(11)9(16-8)12-5-6-2-3-15-6/h4,6,12H,2-3,5,11H2,1H3/t6-/m0/s1
InChIKeyCTHQFYFFKJKLDL-LURJTMIESA-N
MW242.30 g/mol
LogP1.32
Rot. Bonds4

About methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate

methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate (PubChem CID 164544883) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate
PubChem CID164544883
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(N)c(NC[C@@H]2CCO2)s1
InChIInChI=1S/C10H14N2O3S/c1-14-10(13)8-4-7(11)9(16-8)12-5-6-2-3-15-6/h4,6,12H,2-3,5,11H2,1H3/t6-/m0/s1
InChIKeyCTHQFYFFKJKLDL-LURJTMIESA-N
XLogP1.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 4-amino-3-(oxetan-2-ylmethylamino)benzoate
CID 135141200
methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate
CID 163570552
methyl 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508709
methyl 4-amino-2-fluoro-3-(oxetan-2-ylmethylamino)benzoate
CID 175243060
methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 155095941
methyl 4-amino-3-methoxy-5-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 166136555
methyl 3-amino-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508680
methyl 2-(oxan-2-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80571068
methyl 2-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 169084059
tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 155090490
methyl 2-methoxy-5-(oxetan-2-ylmethylamino)benzoate
CID 175531928
3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508706

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate (CID 164544883) is methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate is COC(=O)c1cc(N)c(NC[C@@H]2CCO2)s1.
What is the InChIKey of methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate?
The InChIKey is CTHQFYFFKJKLDL-LURJTMIESA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-14-10(13)8-4-7(11)9(16-8)12-5-6-2-3-15-6/h4,6,12H,2-3,5,11H2,1H3/t6-/m0/s1.
What are the key properties of methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate?
methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate is sourced from PubChem (CID 164544883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).