1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone

C18H21NOS — CID 3645022

IUPAC1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone
SMILESCC1CCCCN1C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C18H21NOS/c1-14-6-4-5-11-19(14)18(20)13-21-17-10-9-15-7-2-3-8-16(15)12-17/h2-3,7-10,12,14H,4-6,11,13H2,1H3
InChIKeyIVYVNOPAAYTCKV-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.33
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone

1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone (PubChem CID 3645022) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone
PubChem CID3645022
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone
SMILESCC1CCCCN1C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C18H21NOS/c1-14-6-4-5-11-19(14)18(20)13-21-17-10-9-15-7-2-3-8-16(15)12-17/h2-3,7-10,12,14H,4-6,11,13H2,1H3
InChIKeyIVYVNOPAAYTCKV-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone (CID 3645022) is 1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone is CC1CCCCN1C(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone?
The InChIKey is IVYVNOPAAYTCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-14-6-4-5-11-19(14)18(20)13-21-17-10-9-15-7-2-3-8-16(15)12-17/h2-3,7-10,12,14H,4-6,11,13H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone?
1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone has a molecular weight of 299.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone is sourced from PubChem (CID 3645022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).