(3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide

C14H21N3O3S — CID 97217248

IUPAC(3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
SMILESCN1CCO[C@H](CN(C(=O)[C@@H]2CCOC2)c2nccs2)C1
InChIInChI=1S/C14H21N3O3S/c1-16-4-6-20-12(8-16)9-17(14-15-3-7-21-14)13(18)11-2-5-19-10-11/h3,7,11-12H,2,4-6,8-10H2,1H3/t11-,12+/m1/s1
InChIKeyLMTREDNPAVMVGJ-NEPJUHHUSA-N
MW311.41 g/mol
LogP0.84
Rot. Bonds4

About (3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide

(3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide (PubChem CID 97217248) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
PubChem CID97217248
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
SMILESCN1CCO[C@H](CN(C(=O)[C@@H]2CCOC2)c2nccs2)C1
InChIInChI=1S/C14H21N3O3S/c1-16-4-6-20-12(8-16)9-17(14-15-3-7-21-14)13(18)11-2-5-19-10-11/h3,7,11-12H,2,4-6,8-10H2,1H3/t11-,12+/m1/s1
InChIKeyLMTREDNPAVMVGJ-NEPJUHHUSA-N
XLogP0.84
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide (CID 97217248) is (3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide is CN1CCO[C@H](CN(C(=O)[C@@H]2CCOC2)c2nccs2)C1.
What is the InChIKey of (3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
The InChIKey is LMTREDNPAVMVGJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-16-4-6-20-12(8-16)9-17(14-15-3-7-21-14)13(18)11-2-5-19-10-11/h3,7,11-12H,2,4-6,8-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of (3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide?
(3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 97217248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).