N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide

C13H23NO4S — CID 136529458

IUPACN-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide
SMILESCCC1(CNC(=O)C2CCS(=O)(=O)C2)CCOCC1
InChIInChI=1S/C13H23NO4S/c1-2-13(4-6-18-7-5-13)10-14-12(15)11-3-8-19(16,17)9-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeyJZNYYFNWXSJOEB-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.74
Rot. Bonds4

About N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide

N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 136529458) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID136529458
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC NameN-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide
SMILESCCC1(CNC(=O)C2CCS(=O)(=O)C2)CCOCC1
InChIInChI=1S/C13H23NO4S/c1-2-13(4-6-18-7-5-13)10-14-12(15)11-3-8-19(16,17)9-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeyJZNYYFNWXSJOEB-UHFFFAOYSA-N
XLogP0.74
TPSA72.47 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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115456020
N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115363944
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 103970156
N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 115668925
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000
N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
CID 113258709
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide (CID 136529458) is N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide is CCC1(CNC(=O)C2CCS(=O)(=O)C2)CCOCC1.
What is the InChIKey of N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is JZNYYFNWXSJOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-2-13(4-6-18-7-5-13)10-14-12(15)11-3-8-19(16,17)9-11/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 136529458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).