N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide

C9H19N3OS — CID 106325242

IUPACN-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
SMILESCNC(=O)CNCCN1CCSCC1
InChIInChI=1S/C9H19N3OS/c1-10-9(13)8-11-2-3-12-4-6-14-7-5-12/h11H,2-8H2,1H3,(H,10,13)
InChIKeyCLHLJHLWQPIZCK-UHFFFAOYSA-N
MW217.34 g/mol
LogP-0.63
Rot. Bonds5

About N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide

N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide (PubChem CID 106325242) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
PubChem CID106325242
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC NameN-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
SMILESCNC(=O)CNCCN1CCSCC1
InChIInChI=1S/C9H19N3OS/c1-10-9(13)8-11-2-3-12-4-6-14-7-5-12/h11H,2-8H2,1H3,(H,10,13)
InChIKeyCLHLJHLWQPIZCK-UHFFFAOYSA-N
XLogP-0.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325201
N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325729
3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325237
N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325135
3,3,3-trifluoro-2-[(2-thiomorpholin-4-ylethylamino)methyl]propanoic acid
CID 106325978
N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325697
N-ethyl-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419848
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173752
1-cyano-N-(2-thiomorpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 106325470
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide?
The IUPAC name of N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide (CID 106325242) is N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide.
What is the SMILES notation for N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide?
The canonical SMILES for N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide is CNC(=O)CNCCN1CCSCC1.
What is the InChIKey of N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide?
The InChIKey is CLHLJHLWQPIZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-10-9(13)8-11-2-3-12-4-6-14-7-5-12/h11H,2-8H2,1H3,(H,10,13).
What are the key properties of N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide?
N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide has a molecular weight of 217.34 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide is sourced from PubChem (CID 106325242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).