3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide

C15H24N2O5S2 — CID 113066210

IUPAC3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCN(CC2CCCO2)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O5S2/c1-13-5-3-7-15(11-13)24(20,21)16-8-9-17(23(2,18)19)12-14-6-4-10-22-14/h3,5,7,11,14,16H,4,6,8-10,12H2,1-2H3
InChIKeyUSRKGIDEPAEPAW-UHFFFAOYSA-N
MW376.50 g/mol
LogP0.71
Rot. Bonds8

About 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide

3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide (PubChem CID 113066210) has the molecular formula C15H24N2O5S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide
PubChem CID113066210
Molecular FormulaC15H24N2O5S2
Molecular Weight376.50 g/mol
Exact Mass376.11
IUPAC Name3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCN(CC2CCCO2)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O5S2/c1-13-5-3-7-15(11-13)24(20,21)16-8-9-17(23(2,18)19)12-14-6-4-10-22-14/h3,5,7,11,14,16H,4,6,8-10,12H2,1-2H3
InChIKeyUSRKGIDEPAEPAW-UHFFFAOYSA-N
XLogP0.71
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide
CID 113066208
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113065190
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide
CID 113066193
N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138072
N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503283
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
CID 113066194
3-methyl-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113067479
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053462
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503413
3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 31481223

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide (CID 113066210) is 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCN(CC2CCCO2)S(C)(=O)=O)c1.
What is the InChIKey of 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide?
The InChIKey is USRKGIDEPAEPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S2/c1-13-5-3-7-15(11-13)24(20,21)16-8-9-17(23(2,18)19)12-14-6-4-10-22-14/h3,5,7,11,14,16H,4,6,8-10,12H2,1-2H3.
What are the key properties of 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide?
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113066210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).