N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide

C13H23NO4S — CID 54942759

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(C1CCS(=O)(=O)C1)N(CCO)C1CCCCC1
InChIInChI=1S/C13H23NO4S/c15-8-7-14(12-4-2-1-3-5-12)13(16)11-6-9-19(17,18)10-11/h11-12,15H,1-10H2
InChIKeyRSTKCBFOQFCNQX-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.57
Rot. Bonds4

About N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide

N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 54942759) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID54942759
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(C1CCS(=O)(=O)C1)N(CCO)C1CCCCC1
InChIInChI=1S/C13H23NO4S/c15-8-7-14(12-4-2-1-3-5-12)13(16)11-6-9-19(17,18)10-11/h11-12,15H,1-10H2
InChIKeyRSTKCBFOQFCNQX-UHFFFAOYSA-N
XLogP0.57
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide
CID 64906251
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
2-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978363
1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride
CID 119826248
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
N-cyclohexyl-N-(2-hydroxyethyl)-5-methyloxolane-3-carboxamide
CID 114826187
4-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993094
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 60694187
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide (CID 54942759) is N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide is O=C(C1CCS(=O)(=O)C1)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is RSTKCBFOQFCNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c15-8-7-14(12-4-2-1-3-5-12)13(16)11-6-9-19(17,18)10-11/h11-12,15H,1-10H2.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide?
N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 54942759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).