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

C10H18N2O4S — CID 43828595

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C10H18N2O4S/c13-10(12-2-4-16-5-3-12)11-7-9-1-6-17(14,15)8-9/h9H,1-8H2,(H,11,13)
InChIKeyZCVOYHWWKNFPIS-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.54
Rot. Bonds2

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

N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 43828595) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide
PubChem CID43828595
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C10H18N2O4S/c13-10(12-2-4-16-5-3-12)11-7-9-1-6-17(14,15)8-9/h9H,1-8H2,(H,11,13)
InChIKeyZCVOYHWWKNFPIS-UHFFFAOYSA-N
XLogP-0.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide (CID 43828595) is N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide is O=C(NCC1CCS(=O)(=O)C1)N1CCOCC1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is ZCVOYHWWKNFPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-10(12-2-4-16-5-3-12)11-7-9-1-6-17(14,15)8-9/h9H,1-8H2,(H,11,13).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide?
N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 43828595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).