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

C9H16N2O4S — CID 3706026

IUPACN-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide
SMILESO=C(NC1CCS(=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)
InChIKeyMMBRHSKAULFCTM-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.78
Rot. Bonds1

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

N-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide (PubChem CID 3706026) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide
PubChem CID3706026
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide
SMILESO=C(NC1CCS(=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)
InChIKeyMMBRHSKAULFCTM-UHFFFAOYSA-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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Related Compounds

3-[(Morpholin-4-ylthioxomethyl)amino]thiolane-1,1-dione
CID 2906052
N-(3-methyl-1,1-dioxothiolan-3-yl)morpholin-4-ylcarboxamide
CID 2905896
N-(2-methoxyethyl)-4-(methylsulfonyl)piperidine-1-carboxamide
CID 71805732
(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-(3-morpholin-4-yl-propyl)-amine
CID 3144943
1-Cyclopropyl-3-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea
CID 45829692
2-(difluoromethyl)-2-methyl-N-(1-oxothiolan-3-yl)morpholine-4-carboxamide
CID 132325686
N-(1,1-dioxothiolan-3-yl)-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxamide
CID 133603129
3-ethyl-N-(4-ethylsulfanylbutan-2-yl)morpholine-4-carboxamide
CID 71867549
N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide
CID 87929605
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide
CID 2404198
N-[(3S)-1,1-dioxothiolan-3-yl]morpholine-4-carboxamide
CID 2407952
N'-(1,1-dioxothiolan-3-yl)morpholine-4-carbohydrazide
CID 3606949

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide (CID 3706026) is N-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide is O=C(NC1CCS(=O)(=O)C1)N1CCOCC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide?
The InChIKey is MMBRHSKAULFCTM-UHFFFAOYSA-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).
What are the key properties of N-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide?
N-(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-(1,1-dioxothiolan-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 3706026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).