(3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide

C14H22N4O3S — CID 97192959

IUPAC(3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)[C@@H]2CSC(C)(C)C(=O)N2)no1
InChIInChI=1S/C14H22N4O3S/c1-8(2)11-16-10(17-21-11)6-18(5)12(19)9-7-22-14(3,4)13(20)15-9/h8-9H,6-7H2,1-5H3,(H,15,20)/t9-/m0/s1
InChIKeyZFEIKKWZYHNGRU-VIFPVBQESA-N
MW326.42 g/mol
LogP1.16
Rot. Bonds4

About (3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide

(3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide (PubChem CID 97192959) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide
PubChem CID97192959
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name(3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)[C@@H]2CSC(C)(C)C(=O)N2)no1
InChIInChI=1S/C14H22N4O3S/c1-8(2)11-16-10(17-21-11)6-18(5)12(19)9-7-22-14(3,4)13(20)15-9/h8-9H,6-7H2,1-5H3,(H,15,20)/t9-/m0/s1
InChIKeyZFEIKKWZYHNGRU-VIFPVBQESA-N
XLogP1.16
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide?
The IUPAC name of (3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide (CID 97192959) is (3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for (3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for (3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide is CC(C)c1nc(CN(C)C(=O)[C@@H]2CSC(C)(C)C(=O)N2)no1.
What is the InChIKey of (3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide?
The InChIKey is ZFEIKKWZYHNGRU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-8(2)11-16-10(17-21-11)6-18(5)12(19)9-7-22-14(3,4)13(20)15-9/h8-9H,6-7H2,1-5H3,(H,15,20)/t9-/m0/s1.
What are the key properties of (3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide?
(3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,6,6-trimethyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 97192959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).