methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate

C15H17N3O5S2 — CID 121150776

IUPACmethyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3nccs3)C2)cc1
InChIInChI=1S/C15H17N3O5S2/c1-22-14(19)17-11-2-4-13(5-3-11)25(20,21)18-8-6-12(10-18)23-15-16-7-9-24-15/h2-5,7,9,12H,6,8,10H2,1H3,(H,17,19)
InChIKeyRLYSFKMDDALRPG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.16
Rot. Bonds5

About methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate

methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate (PubChem CID 121150776) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate
PubChem CID121150776
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Namemethyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3nccs3)C2)cc1
InChIInChI=1S/C15H17N3O5S2/c1-22-14(19)17-11-2-4-13(5-3-11)25(20,21)18-8-6-12(10-18)23-15-16-7-9-24-15/h2-5,7,9,12H,6,8,10H2,1H3,(H,17,19)
InChIKeyRLYSFKMDDALRPG-UHFFFAOYSA-N
XLogP2.16
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate 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

methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 119100298
2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150751
methyl N-[4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122261153
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721
2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150752
2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150766
methyl N-[4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122258216
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627703
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627754
methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate
CID 71807064
methyl N-[4-[(3R)-3-(cyclohexylcarbamoyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 2082059
4-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]sulfonylbenzonitrile
CID 90627782

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate?
The IUPAC name of methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate (CID 121150776) is methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3nccs3)C2)cc1.
What is the InChIKey of methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate?
The InChIKey is RLYSFKMDDALRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-22-14(19)17-11-2-4-13(5-3-11)25(20,21)18-8-6-12(10-18)23-15-16-7-9-24-15/h2-5,7,9,12H,6,8,10H2,1H3,(H,17,19).
What are the key properties of methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate?
methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate has a molecular weight of 383.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate is sourced from PubChem (CID 121150776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).