N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide

C16H25N3O3S — CID 75536818

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCN1CCC(N[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)CC1
InChIInChI=1S/C16H25N3O3S/c1-19-6-4-11(5-7-19)18-12-10-22-13(15(12)20)9-17-16(21)14-3-2-8-23-14/h2-3,8,11-13,15,18,20H,4-7,9-10H2,1H3,(H,17,21)/t12-,13-,15+/m1/s1
InChIKeyLAIWXHFVLUJKTB-NFAWXSAZSA-N
MW339.46 g/mol
LogP0.29
Rot. Bonds5

About N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 75536818) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID75536818
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCN1CCC(N[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)CC1
InChIInChI=1S/C16H25N3O3S/c1-19-6-4-11(5-7-19)18-12-10-22-13(15(12)20)9-17-16(21)14-3-2-8-23-14/h2-3,8,11-13,15,18,20H,4-7,9-10H2,1H3,(H,17,21)/t12-,13-,15+/m1/s1
InChIKeyLAIWXHFVLUJKTB-NFAWXSAZSA-N
XLogP0.29
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.29
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-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide (CID 75536818) is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide is CN1CCC(N[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)CC1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is LAIWXHFVLUJKTB-NFAWXSAZSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-19-6-4-11(5-7-19)18-12-10-22-13(15(12)20)9-17-16(21)14-3-2-8-23-14/h2-3,8,11-13,15,18,20H,4-7,9-10H2,1H3,(H,17,21)/t12-,13-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 0.29, 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-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75536818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).