N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide

C17H28N2O2S — CID 4194972

IUPACN-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCCC1CCCCN1CC(C)(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H28N2O2S/c1-4-15-10-8-9-13-19(15)14-17(2,3)18-22(20,21)16-11-6-5-7-12-16/h5-7,11-12,15,18H,4,8-10,13-14H2,1-3H3
InChIKeyPMBKITOFUPVZRX-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.01
Rot. Bonds6

About N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide

N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide (PubChem CID 4194972) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
PubChem CID4194972
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCCC1CCCCN1CC(C)(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H28N2O2S/c1-4-15-10-8-9-13-19(15)14-17(2,3)18-22(20,21)16-11-6-5-7-12-16/h5-7,11-12,15,18H,4,8-10,13-14H2,1-3H3
InChIKeyPMBKITOFUPVZRX-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide (CID 4194972) is N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide is CCC1CCCCN1CC(C)(C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide?
The InChIKey is PMBKITOFUPVZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-4-15-10-8-9-13-19(15)14-17(2,3)18-22(20,21)16-11-6-5-7-12-16/h5-7,11-12,15,18H,4,8-10,13-14H2,1-3H3.
What are the key properties of N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide?
N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 4194972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).