N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide

C13H18N2O4S — CID 75536817

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2COC2)[C@@H]1O)c1cccs1
InChIInChI=1S/C13H18N2O4S/c16-12-9(15-8-5-18-6-8)7-19-10(12)4-14-13(17)11-2-1-3-20-11/h1-3,8-10,12,15-16H,4-7H2,(H,14,17)/t9-,10-,12+/m1/s1
InChIKeyMYVWQXODGNXDEA-FOGDFJRCSA-N
MW298.36 g/mol
LogP-0.41
Rot. Bonds5

About N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide

N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 75536817) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID75536817
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2COC2)[C@@H]1O)c1cccs1
InChIInChI=1S/C13H18N2O4S/c16-12-9(15-8-5-18-6-8)7-19-10(12)4-14-13(17)11-2-1-3-20-11/h1-3,8-10,12,15-16H,4-7H2,(H,14,17)/t9-,10-,12+/m1/s1
InChIKeyMYVWQXODGNXDEA-FOGDFJRCSA-N
XLogP-0.41
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide (CID 75536817) is N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1OC[C@@H](NC2COC2)[C@@H]1O)c1cccs1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is MYVWQXODGNXDEA-FOGDFJRCSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-12-9(15-8-5-18-6-8)7-19-10(12)4-14-13(17)11-2-1-3-20-11/h1-3,8-10,12,15-16H,4-7H2,(H,14,17)/t9-,10-,12+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 298.36 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75536817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).