3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide

C14H20N2O2S2 — CID 53383034

IUPAC3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CSCC(=O)N1Cc1cccs1
InChIInChI=1S/C14H20N2O2S2/c1-10(2)15-13(18)14(3)9-19-8-12(17)16(14)7-11-5-4-6-20-11/h4-6,10H,7-9H2,1-3H3,(H,15,18)
InChIKeyHUXOUNMGDPWUNE-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.11
Rot. Bonds4

About 3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide

3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide (PubChem CID 53383034) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide
PubChem CID53383034
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CSCC(=O)N1Cc1cccs1
InChIInChI=1S/C14H20N2O2S2/c1-10(2)15-13(18)14(3)9-19-8-12(17)16(14)7-11-5-4-6-20-11/h4-6,10H,7-9H2,1-3H3,(H,15,18)
InChIKeyHUXOUNMGDPWUNE-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide (CID 53383034) is 3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide is CC(C)NC(=O)C1(C)CSCC(=O)N1Cc1cccs1.
What is the InChIKey of 3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide?
The InChIKey is HUXOUNMGDPWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-10(2)15-13(18)14(3)9-19-8-12(17)16(14)7-11-5-4-6-20-11/h4-6,10H,7-9H2,1-3H3,(H,15,18).
What are the key properties of 3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide?
3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-propan-2-yl-4-(thiophen-2-ylmethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 53383034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).