N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide

C11H16N2O3S — CID 653300

IUPACN-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)NC1CCCCC1
InChIInChI=1S/C11H16N2O3S/c14-9(12-8-4-2-1-3-5-8)6-13-10(15)7-17-11(13)16/h8H,1-7H2,(H,12,14)
InChIKeyATBVFZADQDZHEO-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.13
Rot. Bonds3

About N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide

N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 653300) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID653300
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)CSC1=O)NC1CCCCC1
InChIInChI=1S/C11H16N2O3S/c14-9(12-8-4-2-1-3-5-8)6-13-10(15)7-17-11(13)16/h8H,1-7H2,(H,12,14)
InChIKeyATBVFZADQDZHEO-UHFFFAOYSA-N
XLogP1.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(1-pyrrolidinyl)-2-thioxoacetamide
CID 2974938
(2R)-N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145981024
(2R)-2-acetamido-N-cyclohexyl-3-methylsulfanylpropanamide
CID 145990859
2,4-Thiazolidinedione, compd. with cyclohexylamine (1:1)
CID 3057282
N-cyclohexyl-2-oxo-2-(pyrrolidin-1-yl)acetamide
CID 3267084
3-(2-Aminocyclohexyl)-1,3-thiazolidine-2,4-dione
CID 17591359
8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919141
2-(cyclopentylthio)-N-(2-(2,4-dioxothiazolidin-3-yl)cyclohexyl)acetamide
CID 45505266
3-(2-Aminocyclohexyl)-1,3-thiazolidine-2,4-dione hydrochloride
CID 71779138
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 45796543
3-[2-[5-Amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
CID 128986424
3-[2-[5-Amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 128986425

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide (CID 653300) is N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1C(=O)CSC1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is ATBVFZADQDZHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-9(12-8-4-2-1-3-5-8)6-13-10(15)7-17-11(13)16/h8H,1-7H2,(H,12,14).
What are the key properties of N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 256.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 653300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).