N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide

C16H26N2O2S — CID 3731509

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-5-14-6-8-16(9-7-14)21(19,20)18(3)15-10-12-17(2)13-11-15/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyHAUIGQOXVOXKHA-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide

N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide (PubChem CID 3731509) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide
PubChem CID3731509
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-5-14-6-8-16(9-7-14)21(19,20)18(3)15-10-12-17(2)13-11-15/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyHAUIGQOXVOXKHA-UHFFFAOYSA-N
XLogP2.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide (CID 3731509) is N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide?
The InChIKey is HAUIGQOXVOXKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-5-14-6-8-16(9-7-14)21(19,20)18(3)15-10-12-17(2)13-11-15/h6-9,15H,4-5,10-13H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide?
N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 3731509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).