4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide

C19H30N2O3S — CID 3447109

IUPAC4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-14(2)13-18(19(22)21-11-9-16(4)10-12-21)20-25(23,24)17-7-5-15(3)6-8-17/h5-8,14,16,18,20H,9-13H2,1-4H3
InChIKeyUSLHXAQGJFDPNR-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.95
Rot. Bonds6

About 4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide

4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide (PubChem CID 3447109) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
PubChem CID3447109
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-14(2)13-18(19(22)21-11-9-16(4)10-12-21)20-25(23,24)17-7-5-15(3)6-8-17/h5-8,14,16,18,20H,9-13H2,1-4H3
InChIKeyUSLHXAQGJFDPNR-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide (CID 3447109) is 4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide?
The InChIKey is USLHXAQGJFDPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-14(2)13-18(19(22)21-11-9-16(4)10-12-21)20-25(23,24)17-7-5-15(3)6-8-17/h5-8,14,16,18,20H,9-13H2,1-4H3.
What are the key properties of 4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide?
4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3447109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).