N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide

C10H24N2O4S2 — CID 113068070

IUPACN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C10H24N2O4S2/c1-6-9-18(15,16)11-7-8-12(10(2,3)4)17(5,13)14/h11H,6-9H2,1-5H3
InChIKeyUDADWRWWCXLWSG-UHFFFAOYSA-N
MW300.45 g/mol
LogP0.38
Rot. Bonds7

About N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide (PubChem CID 113068070) has the molecular formula C10H24N2O4S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide
PubChem CID113068070
Molecular FormulaC10H24N2O4S2
Molecular Weight300.45 g/mol
Exact Mass300.12
IUPAC NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C10H24N2O4S2/c1-6-9-18(15,16)11-7-8-12(10(2,3)4)17(5,13)14/h11H,6-9H2,1-5H3
InChIKeyUDADWRWWCXLWSG-UHFFFAOYSA-N
XLogP0.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide 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

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide
CID 113068071
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113068002
N-tert-butyl-N-ethylmethanesulfonamide
CID 58540473
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide
CID 113068111
N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113068747
N-[4-(dimethylamino)butyl]propane-1-sulfonamide
CID 64586138
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113068096
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
CID 113068057
N-octadecylpropane-1-sulfonamide
CID 88827291
N-(2-sulfamoylethyl)propane-1-sulfonamide
CID 61131733
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113070641
N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
CID 113067647

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide (CID 113068070) is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide?
The InChIKey is UDADWRWWCXLWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4S2/c1-6-9-18(15,16)11-7-8-12(10(2,3)4)17(5,13)14/h11H,6-9H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide?
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 113068070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).