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

C15H22N2O4S — CID 75536592

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)c1cccs1
InChIInChI=1S/C15H22N2O4S/c18-14-11(17-10-3-5-20-6-4-10)9-21-12(14)8-16-15(19)13-2-1-7-22-13/h1-2,7,10-12,14,17-18H,3-6,8-9H2,(H,16,19)/t11-,12-,14+/m1/s1
InChIKeyDAGIGQSJZXRTHM-BZPMIXESSA-N
MW326.42 g/mol
LogP0.37
Rot. Bonds5

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

N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 75536592) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID75536592
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)c1cccs1
InChIInChI=1S/C15H22N2O4S/c18-14-11(17-10-3-5-20-6-4-10)9-21-12(14)8-16-15(19)13-2-1-7-22-13/h1-2,7,10-12,14,17-18H,3-6,8-9H2,(H,16,19)/t11-,12-,14+/m1/s1
InChIKeyDAGIGQSJZXRTHM-BZPMIXESSA-N
XLogP0.37
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.37
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-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide (CID 75536592) is N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)c1cccs1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is DAGIGQSJZXRTHM-BZPMIXESSA-N. The full InChI is InChI=1S/C15H22N2O4S/c18-14-11(17-10-3-5-20-6-4-10)9-21-12(14)8-16-15(19)13-2-1-7-22-13/h1-2,7,10-12,14,17-18H,3-6,8-9H2,(H,16,19)/t11-,12-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.37, 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-(oxan-4-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75536592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).