N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine

C13H26N2O2S — CID 55089467

IUPACN-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESCCC1CCN(CCNC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H26N2O2S/c1-2-12-3-7-15(8-4-12)9-6-14-13-5-10-18(16,17)11-13/h12-14H,2-11H2,1H3
InChIKeyWZJVGYBMRYLKHW-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.89
Rot. Bonds5

About N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine

N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine (PubChem CID 55089467) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
PubChem CID55089467
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESCCC1CCN(CCNC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H26N2O2S/c1-2-12-3-7-15(8-4-12)9-6-14-13-5-10-18(16,17)11-13/h12-14H,2-11H2,1H3
InChIKeyWZJVGYBMRYLKHW-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine
CID 62574345
N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 62560596
N-(1,1-dioxothiolan-3-yl)-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 62558264
N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 102968388
N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 107395631
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 79925293
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
CID 55087537
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea
CID 95134797
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine (CID 55089467) is N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine is CCC1CCN(CCNC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is WZJVGYBMRYLKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-12-3-7-15(8-4-12)9-6-14-13-5-10-18(16,17)11-13/h12-14H,2-11H2,1H3.
What are the key properties of N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 274.43 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 55089467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).