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

C9H16N2O4S — CID 2407952

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C9H16N2O4S/c12-9(11-2-4-15-5-3-11)10-8-1-6-16(13,14)7-8/h8H,1-7H2,(H,10,12)/t8-/m0/s1
InChIKeyMMBRHSKAULFCTM-QMMMGPOBSA-N
MW248.30 g/mol
LogP-0.78
Rot. Bonds1

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

N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide (PubChem CID 2407952) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide
PubChem CID2407952
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C9H16N2O4S/c12-9(11-2-4-15-5-3-11)10-8-1-6-16(13,14)7-8/h8H,1-7H2,(H,10,12)/t8-/m0/s1
InChIKeyMMBRHSKAULFCTM-QMMMGPOBSA-N
XLogP-0.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide (CID 2407952) is N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide is O=C(N[C@H]1CCS(=O)(=O)C1)N1CCOCC1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide?
The InChIKey is MMBRHSKAULFCTM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O4S/c12-9(11-2-4-15-5-3-11)10-8-1-6-16(13,14)7-8/h8H,1-7H2,(H,10,12)/t8-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide has a molecular weight of 248.30 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 2407952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).