N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide

C9H17N3O2S — CID 82905478

IUPACN-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
SMILESCNC(=O)CN(C)C(=O)C1CSCCN1
InChIInChI=1S/C9H17N3O2S/c1-10-8(13)5-12(2)9(14)7-6-15-4-3-11-7/h7,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyOYCOFXHVBCUMEQ-UHFFFAOYSA-N
MW231.32 g/mol
LogP-1.10
Rot. Bonds3

About N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide

N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide (PubChem CID 82905478) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
PubChem CID82905478
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
SMILESCNC(=O)CN(C)C(=O)C1CSCCN1
InChIInChI=1S/C9H17N3O2S/c1-10-8(13)5-12(2)9(14)7-6-15-4-3-11-7/h7,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyOYCOFXHVBCUMEQ-UHFFFAOYSA-N
XLogP-1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide
CID 82905681
N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
CID 82916414
N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
CID 82908719
N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82917729
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 114949202
N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
CID 82908136
N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82906208
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54871505
N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 62339627
N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82908410

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide (CID 82905478) is N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide is CNC(=O)CN(C)C(=O)C1CSCCN1.
What is the InChIKey of N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide?
The InChIKey is OYCOFXHVBCUMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-10-8(13)5-12(2)9(14)7-6-15-4-3-11-7/h7,11H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide?
N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide has a molecular weight of 231.32 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).