2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide

C19H30N2O2S2 — CID 121109738

IUPAC2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CCN(C3CCSC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2O2S2/c1-14-10-15(2)19(16(3)11-14)25(22,23)20-12-17-4-7-21(8-5-17)18-6-9-24-13-18/h10-11,17-18,20H,4-9,12-13H2,1-3H3
InChIKeyPIMGKWHGEDUZNP-UHFFFAOYSA-N
MW382.60 g/mol
LogP3.11
Rot. Bonds5

About 2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide

2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 121109738) has the molecular formula C19H30N2O2S2 and a molecular weight of 382.60 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID121109738
Molecular FormulaC19H30N2O2S2
Molecular Weight382.60 g/mol
Exact Mass382.17
IUPAC Name2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CCN(C3CCSC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2O2S2/c1-14-10-15(2)19(16(3)11-14)25(22,23)20-12-17-4-7-21(8-5-17)18-6-9-24-13-18/h10-11,17-18,20H,4-9,12-13H2,1-3H3
InChIKeyPIMGKWHGEDUZNP-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,6-trimethyl-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
4-fluoro-3-methyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100682994
4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109744
2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 11754834
N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813128
2-methoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109725
2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813135
2-ethoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813138
methyl 4-methoxy-3-[[1-(thian-4-yl)piperidin-4-yl]methylsulfamoyl]benzoate
CID 91814290
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727
3-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814268
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide (CID 121109738) is 2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC2CCN(C3CCSC3)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is PIMGKWHGEDUZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S2/c1-14-10-15(2)19(16(3)11-14)25(22,23)20-12-17-4-7-21(8-5-17)18-6-9-24-13-18/h10-11,17-18,20H,4-9,12-13H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 382.60 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121109738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).