4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

C12H20N2O2S — CID 53383079

IUPAC4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CSCC(=O)N1C1CC1
InChIInChI=1S/C12H20N2O2S/c1-8(2)13-11(16)12(3)7-17-6-10(15)14(12)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,13,16)
InChIKeyATYWFNNGLYHUQP-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.01
Rot. Bonds3

About 4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide

4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (PubChem CID 53383079) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
PubChem CID53383079
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1(C)CSCC(=O)N1C1CC1
InChIInChI=1S/C12H20N2O2S/c1-8(2)13-11(16)12(3)7-17-6-10(15)14(12)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,13,16)
InChIKeyATYWFNNGLYHUQP-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The IUPAC name of 4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide (CID 53383079) is 4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide.
What is the SMILES notation for 4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The canonical SMILES for 4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is CC(C)NC(=O)C1(C)CSCC(=O)N1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
The InChIKey is ATYWFNNGLYHUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)13-11(16)12(3)7-17-6-10(15)14(12)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide?
4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide is sourced from PubChem (CID 53383079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).