N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide

C10H13NO4S — CID 162969601

IUPACN-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1COC(CO)C1O)c1cccs1
InChIInChI=1S/C10H13NO4S/c12-4-7-9(13)6(5-15-7)11-10(14)8-2-1-3-16-8/h1-3,6-7,9,12-13H,4-5H2,(H,11,14)
InChIKeyVNFWSKLTWNIIDE-UHFFFAOYSA-N
MW243.28 g/mol
LogP-0.40
Rot. Bonds3

About N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide

N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide (PubChem CID 162969601) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide
PubChem CID162969601
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1COC(CO)C1O)c1cccs1
InChIInChI=1S/C10H13NO4S/c12-4-7-9(13)6(5-15-7)11-10(14)8-2-1-3-16-8/h1-3,6-7,9,12-13H,4-5H2,(H,11,14)
InChIKeyVNFWSKLTWNIIDE-UHFFFAOYSA-N
XLogP-0.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 125417244
N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 162799473
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536598
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 162798738
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548401
N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
CID 1009025
N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301056
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672
N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 60722498
N-[[4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 162789967
[3-(thiophene-2-carbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate
CID 73133127

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide (CID 162969601) is N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide is O=C(NC1COC(CO)C1O)c1cccs1.
What is the InChIKey of N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide?
The InChIKey is VNFWSKLTWNIIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c12-4-7-9(13)6(5-15-7)11-10(14)8-2-1-3-16-8/h1-3,6-7,9,12-13H,4-5H2,(H,11,14).
What are the key properties of N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide?
N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide has a molecular weight of 243.28 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 162969601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).