4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide

C18H28N2O3S2 — CID 121109744

IUPAC4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C3CCSC3)CC2)c(C)c1
InChIInChI=1S/C18H28N2O3S2/c1-14-11-17(23-2)3-4-18(14)25(21,22)19-12-15-5-8-20(9-6-15)16-7-10-24-13-16/h3-4,11,15-16,19H,5-10,12-13H2,1-2H3
InChIKeyOSQCHRIDTUIBQP-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.50
Rot. Bonds6

About 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide

4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 121109744) has the molecular formula C18H28N2O3S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID121109744
Molecular FormulaC18H28N2O3S2
Molecular Weight384.57 g/mol
Exact Mass384.15
IUPAC Name4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C3CCSC3)CC2)c(C)c1
InChIInChI=1S/C18H28N2O3S2/c1-14-11-17(23-2)3-4-18(14)25(21,22)19-12-15-5-8-20(9-6-15)16-7-10-24-13-16/h3-4,11,15-16,19H,5-10,12-13H2,1-2H3
InChIKeyOSQCHRIDTUIBQP-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

2-methoxy-4,5-dimethyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100683378
2-methoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109725
2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109738
4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161855
2-ethoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813138
4-fluoro-3-methyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100682994
4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813135
N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813128
methyl 4-methoxy-3-[[1-(thian-4-yl)piperidin-4-yl]methylsulfamoyl]benzoate
CID 91814290
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409
N'-(4-methoxyphenyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 121109804

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide (CID 121109744) is 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(C3CCSC3)CC2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is OSQCHRIDTUIBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S2/c1-14-11-17(23-2)3-4-18(14)25(21,22)19-12-15-5-8-20(9-6-15)16-7-10-24-13-16/h3-4,11,15-16,19H,5-10,12-13H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 384.57 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121109744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).