3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C17H28N2O2S — CID 16887537

IUPAC3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C17H28N2O2S/c1-13(2)19-9-7-16(8-10-19)12-18-22(20,21)17-6-5-14(3)15(4)11-17/h5-6,11,13,16,18H,7-10,12H2,1-4H3
InChIKeyBIGJIUSKSGIENJ-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.70
Rot. Bonds5

About 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887537) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887537
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C17H28N2O2S/c1-13(2)19-9-7-16(8-10-19)12-18-22(20,21)17-6-5-14(3)15(4)11-17/h5-6,11,13,16,18H,7-10,12H2,1-4H3
InChIKeyBIGJIUSKSGIENJ-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887537) is 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is BIGJIUSKSGIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-13(2)19-9-7-16(8-10-19)12-18-22(20,21)17-6-5-14(3)15(4)11-17/h5-6,11,13,16,18H,7-10,12H2,1-4H3.
What are the key properties of 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).