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

C9H19N3OS — CID 82916414

IUPACN-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
SMILESCNCCN(C)C(=O)C1CSCCN1
InChIInChI=1S/C9H19N3OS/c1-10-3-5-12(2)9(13)8-7-14-6-4-11-8/h8,10-11H,3-7H2,1-2H3
InChIKeyHKMPIFYOOWHNLM-UHFFFAOYSA-N
MW217.34 g/mol
LogP-0.63
Rot. Bonds4

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

N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide (PubChem CID 82916414) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
PubChem CID82916414
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
SMILESCNCCN(C)C(=O)C1CSCCN1
InChIInChI=1S/C9H19N3OS/c1-10-3-5-12(2)9(13)8-7-14-6-4-11-8/h8,10-11H,3-7H2,1-2H3
InChIKeyHKMPIFYOOWHNLM-UHFFFAOYSA-N
XLogP-0.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 5-0.63
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
(2R)-N-methyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 103885144
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide
CID 82905681
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683
N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
CID 82908136
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide
CID 82897571
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82917729
N-[2-(dimethylamino)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 63695214
N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
CID 82908719
N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide
CID 82909487
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 114949202

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide (CID 82916414) is N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide is CNCCN(C)C(=O)C1CSCCN1.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide?
The InChIKey is HKMPIFYOOWHNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-10-3-5-12(2)9(13)8-7-14-6-4-11-8/h8,10-11H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide?
N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide has a molecular weight of 217.34 g/mol, XLogP of -0.63, 4 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)ethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82916414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).