N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide

C16H24N2OS — CID 119937905

IUPACN-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)c1cccc(N(C)C(=O)CC2CSCCN2)c1
InChIInChI=1S/C16H24N2OS/c1-12(2)13-5-4-6-15(9-13)18(3)16(19)10-14-11-20-8-7-17-14/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3
InChIKeyQDXCABVWTDVUFD-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.87
Rot. Bonds4

About N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide

N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119937905) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119937905
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)c1cccc(N(C)C(=O)CC2CSCCN2)c1
InChIInChI=1S/C16H24N2OS/c1-12(2)13-5-4-6-15(9-13)18(3)16(19)10-14-11-20-8-7-17-14/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3
InChIKeyQDXCABVWTDVUFD-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635
N-methyl-N-(3-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131546
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941241
N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494564

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide (CID 119937905) is N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide is CC(C)c1cccc(N(C)C(=O)CC2CSCCN2)c1.
What is the InChIKey of N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is QDXCABVWTDVUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)13-5-4-6-15(9-13)18(3)16(19)10-14-11-20-8-7-17-14/h4-6,9,12,14,17H,7-8,10-11H2,1-3H3.
What are the key properties of N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide?
N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 292.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).