N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide

C17H28N2O4S2 — CID 11003624

IUPACN-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCN(CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CCCCC1
InChIInChI=1S/C17H28N2O4S2/c1-18(16-7-5-4-6-8-16)14-13-15-9-11-17(12-10-15)19(24(2,20)21)25(3,22)23/h9-12,16H,4-8,13-14H2,1-3H3
InChIKeyNWWUDKFTGKIAAV-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.22
Rot. Bonds7

About N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide

N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide (PubChem CID 11003624) has the molecular formula C17H28N2O4S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
PubChem CID11003624
Molecular FormulaC17H28N2O4S2
Molecular Weight388.56 g/mol
Exact Mass388.15
IUPAC NameN-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCN(CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CCCCC1
InChIInChI=1S/C17H28N2O4S2/c1-18(16-7-5-4-6-8-16)14-13-15-9-11-17(12-10-15)19(24(2,20)21)25(3,22)23/h9-12,16H,4-8,13-14H2,1-3H3
InChIKeyNWWUDKFTGKIAAV-UHFFFAOYSA-N
XLogP2.22
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide (CID 11003624) is N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide is CN(CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is NWWUDKFTGKIAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S2/c1-18(16-7-5-4-6-8-16)14-13-15-9-11-17(12-10-15)19(24(2,20)21)25(3,22)23/h9-12,16H,4-8,13-14H2,1-3H3.
What are the key properties of N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 388.56 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 11003624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).