methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate

C15H21NO3S — CID 65171527

IUPACmethyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate
SMILESCOC(=O)C1CSCC(c2ccc(OC(C)C)cc2)N1
InChIInChI=1S/C15H21NO3S/c1-10(2)19-12-6-4-11(5-7-12)13-8-20-9-14(16-13)15(17)18-3/h4-7,10,13-14,16H,8-9H2,1-3H3
InChIKeyBOMMQHAEEHTXHA-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.39
Rot. Bonds4

About methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate

methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate (PubChem CID 65171527) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate
PubChem CID65171527
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Namemethyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate
SMILESCOC(=O)C1CSCC(c2ccc(OC(C)C)cc2)N1
InChIInChI=1S/C15H21NO3S/c1-10(2)19-12-6-4-11(5-7-12)13-8-20-9-14(16-13)15(17)18-3/h4-7,10,13-14,16H,8-9H2,1-3H3
InChIKeyBOMMQHAEEHTXHA-UHFFFAOYSA-N
XLogP2.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693390
5-methyl-3-(4-propan-2-yloxyphenyl)-1,4-thiazepane
CID 66231945
methyl 5-[3-(trifluoromethyl)phenyl]thiomorpholine-3-carboxylate
CID 65171178
5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 15817594
2-(4-propan-2-yloxyphenyl)-1,3-thiazinane-4-carboxylic acid
CID 54932533
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide
CID 126828920
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507
methyl (2S,6R)-6-(4-bromophenyl)-4-oxopiperidine-2-carboxylate
CID 71507820
methyl 2-phenyl-1,3-thiazolidine-4-carboxylate
CID 14790914
N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862659

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate?
The IUPAC name of methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate (CID 65171527) is methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate?
The canonical SMILES for methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate is COC(=O)C1CSCC(c2ccc(OC(C)C)cc2)N1.
What is the InChIKey of methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate?
The InChIKey is BOMMQHAEEHTXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-10(2)19-12-6-4-11(5-7-12)13-8-20-9-14(16-13)15(17)18-3/h4-7,10,13-14,16H,8-9H2,1-3H3.
What are the key properties of methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate?
methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-propan-2-yloxyphenyl)thiomorpholine-3-carboxylate is sourced from PubChem (CID 65171527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).