(2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone

C11H13Cl2NOS — CID 78803993

IUPAC(2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NOS/c1-7-4-2-3-5-14(7)11(15)8-6-9(12)16-10(8)13/h6-7H,2-5H2,1H3
InChIKeyTUBGZIBSIAUTRL-UHFFFAOYSA-N
MW278.20 g/mol
LogP4.07
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone

(2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 78803993) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID78803993
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NOS/c1-7-4-2-3-5-14(7)11(15)8-6-9(12)16-10(8)13/h6-7H,2-5H2,1H3
InChIKeyTUBGZIBSIAUTRL-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone (CID 78803993) is (2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is TUBGZIBSIAUTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c1-7-4-2-3-5-14(7)11(15)8-6-9(12)16-10(8)13/h6-7H,2-5H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 278.20 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 78803993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).