N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide

C13H19NO3S — CID 91762989

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2O)cs1
InChIInChI=1S/C13H19NO3S/c1-8(2)12-5-9(7-18-12)13(16)14-10-3-4-17-6-11(10)15/h5,7-8,10-11,15H,3-4,6H2,1-2H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyGRKZBPYJDDQAQM-GHMZBOCLSA-N
MW269.37 g/mol
LogP1.75
Rot. Bonds3

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 91762989) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID91762989
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2O)cs1
InChIInChI=1S/C13H19NO3S/c1-8(2)12-5-9(7-18-12)13(16)14-10-3-4-17-6-11(10)15/h5,7-8,10-11,15H,3-4,6H2,1-2H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyGRKZBPYJDDQAQM-GHMZBOCLSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]thiophene-2-carboxamide
CID 168285079
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
4-ethynyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiophene-2-carboxamide
CID 11515158
5-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiophene-2-carboxamide
CID 11551228
3-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiophene-2-carboxamide
CID 11681037
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367080
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367081
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536590
N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536591
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536592
N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536610
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536818

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide (CID 91762989) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2O)cs1.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is GRKZBPYJDDQAQM-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-8(2)12-5-9(7-18-12)13(16)14-10-3-4-17-6-11(10)15/h5,7-8,10-11,15H,3-4,6H2,1-2H3,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 91762989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).