4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C17H28N2O2S — CID 2407992

IUPAC4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-17(2,3)14-6-8-16(9-7-14)22(20,21)19(5)15-10-12-18(4)13-11-15/h6-9,15H,10-13H2,1-5H3
InChIKeyDCRDNMUOOIZERA-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.70
Rot. Bonds3

About 4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 2407992) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID2407992
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-17(2,3)14-6-8-16(9-7-14)22(20,21)19(5)15-10-12-18(4)13-11-15/h6-9,15H,10-13H2,1-5H3
InChIKeyDCRDNMUOOIZERA-UHFFFAOYSA-N
XLogP2.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1'-((4-Methylphenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine)
CID 9797987
SB-258741
CID 9863250
(1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 25192959
(1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-cyclopentyl-2,5-diazabicyclo[2.2.1]heptane
CID 25193102
1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 2407992) is 4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is DCRDNMUOOIZERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-17(2,3)14-6-8-16(9-7-14)22(20,21)19(5)15-10-12-18(4)13-11-15/h6-9,15H,10-13H2,1-5H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 2407992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).