N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide

C16H25N3O3S — CID 171352066

IUPACN-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C(=O)C1CSCN1C(=O)[C@H]1CCC(=O)N1)C1CCCCC1
InChIInChI=1S/C16H25N3O3S/c1-18(11-5-3-2-4-6-11)16(22)13-9-23-10-19(13)15(21)12-7-8-14(20)17-12/h11-13H,2-10H2,1H3,(H,17,20)/t12-,13?/m1/s1
InChIKeyKEENOIYRWGIPMG-PZORYLMUSA-N
MW339.46 g/mol
LogP0.96
Rot. Bonds3

About N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide

N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 171352066) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID171352066
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C(=O)C1CSCN1C(=O)[C@H]1CCC(=O)N1)C1CCCCC1
InChIInChI=1S/C16H25N3O3S/c1-18(11-5-3-2-4-6-11)16(22)13-9-23-10-19(13)15(21)12-7-8-14(20)17-12/h11-13H,2-10H2,1H3,(H,17,20)/t12-,13?/m1/s1
InChIKeyKEENOIYRWGIPMG-PZORYLMUSA-N
XLogP0.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 171352066) is N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide is CN(C(=O)C1CSCN1C(=O)[C@H]1CCC(=O)N1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is KEENOIYRWGIPMG-PZORYLMUSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(11-5-3-2-4-6-11)16(22)13-9-23-10-19(13)15(21)12-7-8-14(20)17-12/h11-13H,2-10H2,1H3,(H,17,20)/t12-,13?/m1/s1.
What are the key properties of N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 171352066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).