3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

C14H26N2O2S — CID 53383078

IUPAC3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)CCN1C(=O)CSCC1(C)C(=O)NC(C)C
InChIInChI=1S/C14H26N2O2S/c1-10(2)6-7-16-12(17)8-19-9-14(16,5)13(18)15-11(3)4/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyRORWJVQACLTDHU-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.89
Rot. Bonds5

About 3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (PubChem CID 53383078) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
PubChem CID53383078
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)CCN1C(=O)CSCC1(C)C(=O)NC(C)C
InChIInChI=1S/C14H26N2O2S/c1-10(2)6-7-16-12(17)8-19-9-14(16,5)13(18)15-11(3)4/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyRORWJVQACLTDHU-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The IUPAC name of 3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (CID 53383078) is 3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.
What is the SMILES notation for 3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The canonical SMILES for 3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is CC(C)CCN1C(=O)CSCC1(C)C(=O)NC(C)C.
What is the InChIKey of 3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The InChIKey is RORWJVQACLTDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-10(2)6-7-16-12(17)8-19-9-14(16,5)13(18)15-11(3)4/h10-11H,6-9H2,1-5H3,(H,15,18).
What are the key properties of 3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide has a molecular weight of 286.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is sourced from PubChem (CID 53383078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).