N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide

C22H30N2O2S — CID 53465409

IUPACN-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-18(2)23(3)27(25,26)22-10-6-5-9-21(22)20-13-11-19(12-14-20)17-24-15-7-4-8-16-24/h5-6,9-14,18H,4,7-8,15-17H2,1-3H3
InChIKeyCBTNDFXQQYYQCL-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.37
Rot. Bonds6

About N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide

N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 53465409) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID53465409
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-18(2)23(3)27(25,26)22-10-6-5-9-21(22)20-13-11-19(12-14-20)17-24-15-7-4-8-16-24/h5-6,9-14,18H,4,7-8,15-17H2,1-3H3
InChIKeyCBTNDFXQQYYQCL-UHFFFAOYSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide (CID 53465409) is N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is CBTNDFXQQYYQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-18(2)23(3)27(25,26)22-10-6-5-9-21(22)20-13-11-19(12-14-20)17-24-15-7-4-8-16-24/h5-6,9-14,18H,4,7-8,15-17H2,1-3H3.
What are the key properties of N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide?
N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 53465409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).