2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide

C10H13NO5S — CID 10038171

IUPAC2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H13NO5S/c11-10(15)4-1-2-17-9(4)8-7(14)6(13)5(3-12)16-8/h1-2,5-8,12-14H,3H2,(H2,11,15)/t5-,6-,7-,8-/m1/s1
InChIKeyLQFVYXXEBOJVLQ-WCTZXXKLSA-N
MW259.28 g/mol
LogP-1.00
Rot. Bonds3

About 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide

2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide (PubChem CID 10038171) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide
PubChem CID10038171
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H13NO5S/c11-10(15)4-1-2-17-9(4)8-7(14)6(13)5(3-12)16-8/h1-2,5-8,12-14H,3H2,(H2,11,15)/t5-,6-,7-,8-/m1/s1
InChIKeyLQFVYXXEBOJVLQ-WCTZXXKLSA-N
XLogP-1.00
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrole-3-carboxamide
CID 46873893
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide
CID 46875500
5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
CID 154664836
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
CID 154664844
4-(1-benzothiophen-2-ylmethyl)-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 58843594
4-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
CID 91120633
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-4-carboxamide
CID 14844023
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide;1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine
CID 174553424
(3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 88737553
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-thiophen-3-yloxane-3,4,5-triol
CID 102451889
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(3-thiophen-2-ylphenyl)oxolane-3,4-diol
CID 24853935
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 169033139

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide?
The IUPAC name of 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide (CID 10038171) is 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide is NC(=O)c1ccsc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide?
The InChIKey is LQFVYXXEBOJVLQ-WCTZXXKLSA-N. The full InChI is InChI=1S/C10H13NO5S/c11-10(15)4-1-2-17-9(4)8-7(14)6(13)5(3-12)16-8/h1-2,5-8,12-14H,3H2,(H2,11,15)/t5-,6-,7-,8-/m1/s1.
What are the key properties of 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide?
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide has a molecular weight of 259.28 g/mol, XLogP of -1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 10038171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).