N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

C19H30N2O3S — CID 1007879

IUPACN-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O3S/c1-15-11-13-21(14-12-15)18(22)10-7-16-5-8-17(9-6-16)25(23,24)20-19(2,3)4/h5-6,8-9,15,20H,7,10-14H2,1-4H3
InChIKeyJXFIVODFDDEJEA-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.95
Rot. Bonds5

About N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 1007879) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID1007879
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O3S/c1-15-11-13-21(14-12-15)18(22)10-7-16-5-8-17(9-6-16)25(23,24)20-19(2,3)4/h5-6,8-9,15,20H,7,10-14H2,1-4H3
InChIKeyJXFIVODFDDEJEA-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 1007879) is N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is CC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1.
What is the InChIKey of N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is JXFIVODFDDEJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-15-11-13-21(14-12-15)18(22)10-7-16-5-8-17(9-6-16)25(23,24)20-19(2,3)4/h5-6,8-9,15,20H,7,10-14H2,1-4H3.
What are the key properties of N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 1007879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).