1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol

C9H19NS2 — CID 123473527

IUPAC1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol
SMILESCCC1CCN(C(S)CS)CC1
InChIInChI=1S/C9H19NS2/c1-2-8-3-5-10(6-4-8)9(12)7-11/h8-9,11-12H,2-7H2,1H3
InChIKeyHUGJLCAHQJTJTP-UHFFFAOYSA-N
MW205.39 g/mol
LogP2.29
Rot. Bonds3

About 1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol

1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol (PubChem CID 123473527) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol
PubChem CID123473527
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol
SMILESCCC1CCN(C(S)CS)CC1
InChIInChI=1S/C9H19NS2/c1-2-8-3-5-10(6-4-8)9(12)7-11/h8-9,11-12H,2-7H2,1H3
InChIKeyHUGJLCAHQJTJTP-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol (CID 123473527) is 1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol is CCC1CCN(C(S)CS)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol?
The InChIKey is HUGJLCAHQJTJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-2-8-3-5-10(6-4-8)9(12)7-11/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol?
1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol has a molecular weight of 205.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)ethane-1,2-dithiol is sourced from PubChem (CID 123473527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).