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

C9H22N2O4S2 — CID 118241937

IUPACN-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide
SMILESCC(CN(C)S(C)(=O)=O)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H22N2O4S2/c1-8(7-11(5)16(6,12)13)17(14,15)10-9(2,3)4/h8,10H,7H2,1-6H3
InChIKeyDFUCVZZIDVBUFE-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.02
Rot. Bonds5

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

N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide (PubChem CID 118241937) has the molecular formula C9H22N2O4S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide
PubChem CID118241937
Molecular FormulaC9H22N2O4S2
Molecular Weight286.42 g/mol
Exact Mass286.10
IUPAC NameN-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide
SMILESCC(CN(C)S(C)(=O)=O)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H22N2O4S2/c1-8(7-11(5)16(6,12)13)17(14,15)10-9(2,3)4/h8,10H,7H2,1-6H3
InChIKeyDFUCVZZIDVBUFE-UHFFFAOYSA-N
XLogP-0.02
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide 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-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide?
The IUPAC name of N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide (CID 118241937) is N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide?
The canonical SMILES for N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide is CC(CN(C)S(C)(=O)=O)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide?
The InChIKey is DFUCVZZIDVBUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S2/c1-8(7-11(5)16(6,12)13)17(14,15)10-9(2,3)4/h8,10H,7H2,1-6H3.
What are the key properties of N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide?
N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide has a molecular weight of 286.42 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide is sourced from PubChem (CID 118241937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).