N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

C13H20N2O5S — CID 109133302

IUPACN-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CC1C(=O)N1CCOCC1
InChIInChI=1S/C13H20N2O5S/c16-12(14-9-1-6-21(18,19)8-9)10-7-11(10)13(17)15-2-4-20-5-3-15/h9-11H,1-8H2,(H,14,16)
InChIKeyWPXKVAUHKCAMPW-UHFFFAOYSA-N
MW316.38 g/mol
LogP-1.22
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109133302) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
PubChem CID109133302
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CC1C(=O)N1CCOCC1
InChIInChI=1S/C13H20N2O5S/c16-12(14-9-1-6-21(18,19)8-9)10-7-11(10)13(17)15-2-4-20-5-3-15/h9-11H,1-8H2,(H,14,16)
InChIKeyWPXKVAUHKCAMPW-UHFFFAOYSA-N
XLogP-1.22
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109131991
2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138181
N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138175
N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959841
N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105920
N-(1,1-dioxothiolan-3-yl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103755
(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
CID 110849366
1-N-(2,6-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138202
N-(1,1-dioxothiolan-3-yl)-2-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]acetamide
CID 51087063
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
2-(morpholine-4-carbonyl)-N-propylcyclopropane-1-carboxamide
CID 109130430
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994771

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (CID 109133302) is N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1CC1C(=O)N1CCOCC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is WPXKVAUHKCAMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c16-12(14-9-1-6-21(18,19)8-9)10-7-11(10)13(17)15-2-4-20-5-3-15/h9-11H,1-8H2,(H,14,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 316.38 g/mol, XLogP of -1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109133302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).