N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide

C10H18N2O4S — CID 2404198

IUPACN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide
SMILESC[C@@]1(NC(=O)N2CCOCC2)CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O4S/c1-10(2-7-17(14,15)8-10)11-9(13)12-3-5-16-6-4-12/h2-8H2,1H3,(H,11,13)/t10-/m1/s1
InChIKeyFFPOYDHJAQQALJ-SNVBAGLBSA-N
MW262.33 g/mol
LogP-0.39
Rot. Bonds1

About N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide

N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide (PubChem CID 2404198) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide
PubChem CID2404198
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide
SMILESC[C@@]1(NC(=O)N2CCOCC2)CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O4S/c1-10(2-7-17(14,15)8-10)11-9(13)12-3-5-16-6-4-12/h2-8H2,1H3,(H,11,13)/t10-/m1/s1
InChIKeyFFPOYDHJAQQALJ-SNVBAGLBSA-N
XLogP-0.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide (CID 2404198) is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide is C[C@@]1(NC(=O)N2CCOCC2)CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide?
The InChIKey is FFPOYDHJAQQALJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-10(2-7-17(14,15)8-10)11-9(13)12-3-5-16-6-4-12/h2-8H2,1H3,(H,11,13)/t10-/m1/s1.
What are the key properties of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide?
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 2404198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).