N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide

C11H19N5OS — CID 66422308

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1nc(CN(C)C(=O)CC2CSCCN2)n[nH]1
InChIInChI=1S/C11H19N5OS/c1-8-13-10(15-14-8)6-16(2)11(17)5-9-7-18-4-3-12-9/h9,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyWPJJBNDCNLGMNW-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.17
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422308) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422308
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1nc(CN(C)C(=O)CC2CSCCN2)n[nH]1
InChIInChI=1S/C11H19N5OS/c1-8-13-10(15-14-8)6-16(2)11(17)5-9-7-18-4-3-12-9/h9,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyWPJJBNDCNLGMNW-UHFFFAOYSA-N
XLogP0.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 64519602
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide
CID 64518835
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421619
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940798
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide (CID 66422308) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide is Cc1nc(CN(C)C(=O)CC2CSCCN2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is WPJJBNDCNLGMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8-13-10(15-14-8)6-16(2)11(17)5-9-7-18-4-3-12-9/h9,12H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 269.37 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).