2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine

C15H29NO2S — CID 105155339

IUPAC2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
SMILESCCC1CCC(C(CC2CCS(=O)(=O)C2)NC)CC1
InChIInChI=1S/C15H29NO2S/c1-3-12-4-6-14(7-5-12)15(16-2)10-13-8-9-19(17,18)11-13/h12-16H,3-11H2,1-2H3
InChIKeyKBYFZPHXSODTSY-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.62
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine

2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine (PubChem CID 105155339) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
PubChem CID105155339
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
SMILESCCC1CCC(C(CC2CCS(=O)(=O)C2)NC)CC1
InChIInChI=1S/C15H29NO2S/c1-3-12-4-6-14(7-5-12)15(16-2)10-13-8-9-19(17,18)11-13/h12-16H,3-11H2,1-2H3
InChIKeyKBYFZPHXSODTSY-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105330653
2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105170225
1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine
CID 105125639
2-cyclopropyl-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65423192
1-(1,1-dioxothiolan-3-yl)-N,3-dimethylhexan-2-amine
CID 107893846
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
[2-cyclopentyl-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231394
1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105090384
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-N-methylethanamine
CID 105121790
1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346285
1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine
CID 65132236

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine (CID 105155339) is 2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine is CCC1CCC(C(CC2CCS(=O)(=O)C2)NC)CC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The InChIKey is KBYFZPHXSODTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-3-12-4-6-14(7-5-12)15(16-2)10-13-8-9-19(17,18)11-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine has a molecular weight of 287.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 105155339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).