(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide

C15H16N2O2S — CID 100746069

IUPAC(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cccnc1-c1cccs1)[C@H]1CCOC1
InChIInChI=1S/C15H16N2O2S/c18-15(12-5-7-19-10-12)17-9-11-3-1-6-16-14(11)13-4-2-8-20-13/h1-4,6,8,12H,5,7,9-10H2,(H,17,18)/t12-/m0/s1
InChIKeyVRQCILXBRFEFOX-LBPRGKRZSA-N
MW288.37 g/mol
LogP2.46
Rot. Bonds4

About (3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide

(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide (PubChem CID 100746069) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide
PubChem CID100746069
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cccnc1-c1cccs1)[C@H]1CCOC1
InChIInChI=1S/C15H16N2O2S/c18-15(12-5-7-19-10-12)17-9-11-3-1-6-16-14(11)13-4-2-8-20-13/h1-4,6,8,12H,5,7,9-10H2,(H,17,18)/t12-/m0/s1
InChIKeyVRQCILXBRFEFOX-LBPRGKRZSA-N
XLogP2.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide (CID 100746069) is (3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide is O=C(NCc1cccnc1-c1cccs1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide?
The InChIKey is VRQCILXBRFEFOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(12-5-7-19-10-12)17-9-11-3-1-6-16-14(11)13-4-2-8-20-13/h1-4,6,8,12H,5,7,9-10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide?
(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 100746069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).