N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide

C11H19N3O2S — CID 82905681

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)C1CSCCN1
InChIInChI=1S/C11H19N3O2S/c1-14(6-10(15)13-8-2-3-8)11(16)9-7-17-5-4-12-9/h8-9,12H,2-7H2,1H3,(H,13,15)
InChIKeyJMJSLRRYZGJZGF-UHFFFAOYSA-N
MW257.36 g/mol
LogP-0.57
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide (PubChem CID 82905681) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide
PubChem CID82905681
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)C1CSCCN1
InChIInChI=1S/C11H19N3O2S/c1-14(6-10(15)13-8-2-3-8)11(16)9-7-17-5-4-12-9/h8-9,12H,2-7H2,1H3,(H,13,15)
InChIKeyJMJSLRRYZGJZGF-UHFFFAOYSA-N
XLogP-0.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
CID 82905478
N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
CID 82908719
N-[2-(cyclopropylamino)-2-oxoethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 43579084
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 43579064
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82917729
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 43579066
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43579071
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 114949202

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide (CID 82905681) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide is CN(CC(=O)NC1CC1)C(=O)C1CSCCN1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide?
The InChIKey is JMJSLRRYZGJZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-14(6-10(15)13-8-2-3-8)11(16)9-7-17-5-4-12-9/h8-9,12H,2-7H2,1H3,(H,13,15).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide has a molecular weight of 257.36 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82905681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).