N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide

C15H24N2O4S2 — CID 27519574

IUPACN-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C15H24N2O4S2/c1-4-22(18,19)16-14-8-10-15(11-9-14)23(20,21)17-12(2)6-5-7-13(17)3/h8-13,16H,4-7H2,1-3H3/t12-,13+
InChIKeyICTBVMOFKUGCRP-BETUJISGSA-N
MW360.50 g/mol
LogP2.40
Rot. Bonds5

About N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide

N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide (PubChem CID 27519574) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
PubChem CID27519574
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC NameN-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C15H24N2O4S2/c1-4-22(18,19)16-14-8-10-15(11-9-14)23(20,21)17-12(2)6-5-7-13(17)3/h8-13,16H,4-7H2,1-3H3/t12-,13+
InChIKeyICTBVMOFKUGCRP-BETUJISGSA-N
XLogP2.40
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
1-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-ethylurea
CID 40952612
4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 42998815
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
2,4,5-trichloro-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684524
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
CID 3226861
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
2,5-dichloro-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684508
3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]benzoic acid
CID 42913165

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide (CID 27519574) is N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)cc1.
What is the InChIKey of N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide?
The InChIKey is ICTBVMOFKUGCRP-BETUJISGSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-4-22(18,19)16-14-8-10-15(11-9-14)23(20,21)17-12(2)6-5-7-13(17)3/h8-13,16H,4-7H2,1-3H3/t12-,13+.
What are the key properties of N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide?
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide has a molecular weight of 360.50 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide is sourced from PubChem (CID 27519574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).