N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide

C16H24N2O2S — CID 82897571

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C2CSCCN2)c1
InChIInChI=1S/C16H24N2O2S/c1-12-8-13(2)10-14(9-12)20-6-5-18(3)16(19)15-11-21-7-4-17-15/h8-10,15,17H,4-7,11H2,1-3H3
InChIKeyFYZSRMDBNFPBNS-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.85
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide (PubChem CID 82897571) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide
PubChem CID82897571
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C2CSCCN2)c1
InChIInChI=1S/C16H24N2O2S/c1-12-8-13(2)10-14(9-12)20-6-5-18(3)16(19)15-11-21-7-4-17-15/h8-10,15,17H,4-7,11H2,1-3H3
InChIKeyFYZSRMDBNFPBNS-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60938220
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119344769
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81126354
N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
CID 82916414
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 97123264
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
CID 119344771
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide (CID 82897571) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)C2CSCCN2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide?
The InChIKey is FYZSRMDBNFPBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-8-13(2)10-14(9-12)20-6-5-18(3)16(19)15-11-21-7-4-17-15/h8-10,15,17H,4-7,11H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82897571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).