3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

C19H30N2O3S — CID 3240303

IUPAC3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCCN2CCCCC2C)cc1
InChIInChI=1S/C19H30N2O3S/c1-16-6-8-18(9-7-16)15-25(23,24)14-10-19(22)20-11-13-21-12-4-3-5-17(21)2/h6-9,17H,3-5,10-15H2,1-2H3,(H,20,22)
InChIKeyWITOATZYVYREAE-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.29
Rot. Bonds8

About 3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 3240303) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID3240303
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCCN2CCCCC2C)cc1
InChIInChI=1S/C19H30N2O3S/c1-16-6-8-18(9-7-16)15-25(23,24)14-10-19(22)20-11-13-21-12-4-3-5-17(21)2/h6-9,17H,3-5,10-15H2,1-2H3,(H,20,22)
InChIKeyWITOATZYVYREAE-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (CID 3240303) is 3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is Cc1ccc(CS(=O)(=O)CCC(=O)NCCN2CCCCC2C)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is WITOATZYVYREAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-16-6-8-18(9-7-16)15-25(23,24)14-10-19(22)20-11-13-21-12-4-3-5-17(21)2/h6-9,17H,3-5,10-15H2,1-2H3,(H,20,22).
What are the key properties of 3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 366.53 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 3240303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).