N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide

C12H17NO6S — CID 71770816

IUPACN-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccs1
InChIInChI=1S/C12H17NO6S/c14-5-7-10(16)11(17)9(15)6(19-7)4-13-12(18)8-2-1-3-20-8/h1-3,6-7,9-11,14-17H,4-5H2,(H,13,18)/t6-,7+,9-,10+,11+/m0/s1
InChIKeyKISIGADLVVPMGO-FZHDAFOHSA-N
MW303.34 g/mol
LogP-1.68
Rot. Bonds4

About N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide

N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 71770816) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID71770816
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC NameN-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccs1
InChIInChI=1S/C12H17NO6S/c14-5-7-10(16)11(17)9(15)6(19-7)4-13-12(18)8-2-1-3-20-8/h1-3,6-7,9-11,14-17H,4-5H2,(H,13,18)/t6-,7+,9-,10+,11+/m0/s1
InChIKeyKISIGADLVVPMGO-FZHDAFOHSA-N
XLogP-1.68
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide (CID 71770816) is N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccs1.
What is the InChIKey of N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is KISIGADLVVPMGO-FZHDAFOHSA-N. The full InChI is InChI=1S/C12H17NO6S/c14-5-7-10(16)11(17)9(15)6(19-7)4-13-12(18)8-2-1-3-20-8/h1-3,6-7,9-11,14-17H,4-5H2,(H,13,18)/t6-,7+,9-,10+,11+/m0/s1.
What are the key properties of N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide?
N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 303.34 g/mol, XLogP of -1.68, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71770816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).