N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide

C15H23N3O4S — CID 167261140

IUPACN-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCN1C(=O)CSC1=O)C(=O)NC1CCCC1
InChIInChI=1S/C15H23N3O4S/c1-15(2,13(21)17-10-5-3-4-6-10)12(20)16-7-8-18-11(19)9-23-14(18)22/h10H,3-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeySBHQTLXMRDXCDY-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.88
Rot. Bonds6

About N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide

N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 167261140) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
PubChem CID167261140
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCN1C(=O)CSC1=O)C(=O)NC1CCCC1
InChIInChI=1S/C15H23N3O4S/c1-15(2,13(21)17-10-5-3-4-6-10)12(20)16-7-8-18-11(19)9-23-14(18)22/h10H,3-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeySBHQTLXMRDXCDY-UHFFFAOYSA-N
XLogP0.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 139516950
N-(cyclobutylmethyl)-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 139517011
N-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N'-(3-methylpentan-2-yl)propanediamide
CID 139517089
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N',2,2-trimethylpropanediamide
CID 166506431
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 167260954
N-cyclopentyl-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide
CID 167260991
N-cyclobutyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 167260999
1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 167261230
N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide
CID 167261325
1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
CID 167261476
N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
CID 17033751
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,2-dimethylpropanamide
CID 49719988

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide (CID 167261140) is N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NCCN1C(=O)CSC1=O)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is SBHQTLXMRDXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-15(2,13(21)17-10-5-3-4-6-10)12(20)16-7-8-18-11(19)9-23-14(18)22/h10H,3-9H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide?
N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 341.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 167261140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).