(5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone

C11H14ClNOS — CID 4616072

IUPAC(5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNOS/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3
InChIKeyFEIXCBYAINWNPR-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.42
Rot. Bonds1

About (5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone

(5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 4616072) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID4616072
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name(5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClNOS/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3
InChIKeyFEIXCBYAINWNPR-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone (CID 4616072) is (5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is FEIXCBYAINWNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 243.76 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4616072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).