3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide

C18H30N2O4S — CID 110402917

IUPAC3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C(C)C)N2CCCCC2)cc1OC
InChIInChI=1S/C18H30N2O4S/c1-14(2)16(20-10-6-5-7-11-20)13-19-25(21,22)15-8-9-17(23-3)18(12-15)24-4/h8-9,12,14,16,19H,5-7,10-11,13H2,1-4H3
InChIKeyAZMBFCHINVUROJ-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.49
Rot. Bonds8

About 3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide

3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide (PubChem CID 110402917) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
PubChem CID110402917
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Name3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C(C)C)N2CCCCC2)cc1OC
InChIInChI=1S/C18H30N2O4S/c1-14(2)16(20-10-6-5-7-11-20)13-19-25(21,22)15-8-9-17(23-3)18(12-15)24-4/h8-9,12,14,16,19H,5-7,10-11,13H2,1-4H3
InChIKeyAZMBFCHINVUROJ-UHFFFAOYSA-N
XLogP2.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
3-chloro-4-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403190
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382
4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402904
3-bromo-4-methoxy-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112727228
4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402911
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110402939
3,4-dimethoxy-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 40828884
3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402958
3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42960746
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide (CID 110402917) is 3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C(C)C)N2CCCCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The InChIKey is AZMBFCHINVUROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-14(2)16(20-10-6-5-7-11-20)13-19-25(21,22)15-8-9-17(23-3)18(12-15)24-4/h8-9,12,14,16,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of 3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 110402917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).