N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C15H23ClN2O4S2 — CID 119306128

IUPACN-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)C1CSCN1.Cl
InChIInChI=1S/C15H22N2O4S2.ClH/c1-17(15(18)14-10-22-11-16-14)7-4-8-21-12-5-3-6-13(9-12)23(2,19)20;/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3;1H
InChIKeySKZVNRYFGNTTIB-UHFFFAOYSA-N
MW394.95 g/mol
LogP1.40
Rot. Bonds7

About N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119306128) has the molecular formula C15H23ClN2O4S2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119306128
Molecular FormulaC15H23ClN2O4S2
Molecular Weight394.95 g/mol
Exact Mass394.08
IUPAC NameN-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)C1CSCN1.Cl
InChIInChI=1S/C15H22N2O4S2.ClH/c1-17(15(18)14-10-22-11-16-14)7-4-8-21-12-5-3-6-13(9-12)23(2,19)20;/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3;1H
InChIKeySKZVNRYFGNTTIB-UHFFFAOYSA-N
XLogP1.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119344769
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119753734
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60938220
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119753738
(2S)-2-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306134
(2S)-2-amino-N,4-dimethyl-N-[3-(3-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119753772
N,3-dimethyl-N-[3-(3-methylsulfonylphenoxy)propyl]butanamide
CID 49009562
4-methoxy-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 119753760
2-(4-aminophenyl)-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]acetamide;hydrochloride
CID 119753730
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide
CID 119950695
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119306128) is N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)C1CSCN1.Cl.
What is the InChIKey of N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is SKZVNRYFGNTTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2.ClH/c1-17(15(18)14-10-22-11-16-14)7-4-8-21-12-5-3-6-13(9-12)23(2,19)20;/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3;1H.
What are the key properties of N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119306128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).