[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine

C13H26N2O2S — CID 63921849

IUPAC[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine
SMILESCCC1CCCCN1C1(CN)CCCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O2S/c1-2-12-6-3-4-8-15(12)13(10-14)7-5-9-18(16,17)11-13/h12H,2-11,14H2,1H3
InChIKeyYTTHYJOUOHCSIP-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.16
Rot. Bonds3

About [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine

[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine (PubChem CID 63921849) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine
PubChem CID63921849
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine
SMILESCCC1CCCCN1C1(CN)CCCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O2S/c1-2-12-6-3-4-8-15(12)13(10-14)7-5-9-18(16,17)11-13/h12H,2-11,14H2,1H3
InChIKeyYTTHYJOUOHCSIP-UHFFFAOYSA-N
XLogP1.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-ethylpiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43266395
[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 63162443
[3-(5-ethyl-2-methylmorpholin-4-yl)-1,1-dioxothian-3-yl]methanamine
CID 63922853
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 65319426
[8-(2-ethylpyrrolidin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818062
[4-ethyl-1-(2-ethylpiperidin-1-yl)cycloheptyl]methanamine
CID 65088511
[1-(2-ethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63470394
[4-(2-ethylazepan-1-yl)thian-4-yl]methanamine
CID 104689235
[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine
CID 104689369
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 82746287
[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64758210
[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,1-dioxothian-3-yl]methanamine
CID 79940771

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine?
The IUPAC name of [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine (CID 63921849) is [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine.
What is the SMILES notation for [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine?
The canonical SMILES for [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine is CCC1CCCCN1C1(CN)CCCS(=O)(=O)C1.
What is the InChIKey of [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine?
The InChIKey is YTTHYJOUOHCSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-12-6-3-4-8-15(12)13(10-14)7-5-9-18(16,17)11-13/h12H,2-11,14H2,1H3.
What are the key properties of [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine?
[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine is sourced from PubChem (CID 63921849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).