(3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide

C16H24N2O3S — CID 129397028

IUPAC(3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide
SMILESCOCCOc1ccc(CNC(=O)N2CCSC[C@H]2C)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-12-22-10-7-18(13)16(19)17-11-14-3-5-15(6-4-14)21-9-8-20-2/h3-6,13H,7-12H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyLSJNGQXXHHWVJN-CYBMUJFWSA-N
MW324.45 g/mol
LogP2.36
Rot. Bonds6

About (3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide

(3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide (PubChem CID 129397028) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide
PubChem CID129397028
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide
SMILESCOCCOc1ccc(CNC(=O)N2CCSC[C@H]2C)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-12-22-10-7-18(13)16(19)17-11-14-3-5-15(6-4-14)21-9-8-20-2/h3-6,13H,7-12H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyLSJNGQXXHHWVJN-CYBMUJFWSA-N
XLogP2.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxyphenyl)methylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82901955
2-[[(3-methylthiomorpholine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325338
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 110793789
2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 119723266
N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 71853262
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 110774966
N-[4-(2-methoxyethoxy)phenyl]-4,4-dimethylthian-3-amine
CID 79949028
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
1-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413462

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide?
The IUPAC name of (3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide (CID 129397028) is (3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide is COCCOc1ccc(CNC(=O)N2CCSC[C@H]2C)cc1.
What is the InChIKey of (3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide?
The InChIKey is LSJNGQXXHHWVJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-12-22-10-7-18(13)16(19)17-11-14-3-5-15(6-4-14)21-9-8-20-2/h3-6,13H,7-12H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide?
(3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiomorpholine-4-carboxamide is sourced from PubChem (CID 129397028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).