N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide

C8H19NO4S2 — CID 58785818

IUPACN-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide
SMILESCN(CCS(=O)(=O)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C8H19NO4S2/c1-8(2,3)15(12,13)7-6-9(4)14(5,10)11/h6-7H2,1-5H3
InChIKeyKHQMBDQDBZEFCD-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.09
Rot. Bonds4

About N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide

N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide (PubChem CID 58785818) has the molecular formula C8H19NO4S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide
PubChem CID58785818
Molecular FormulaC8H19NO4S2
Molecular Weight257.38 g/mol
Exact Mass257.08
IUPAC NameN-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide
SMILESCN(CCS(=O)(=O)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C8H19NO4S2/c1-8(2,3)15(12,13)7-6-9(4)14(5,10)11/h6-7H2,1-5H3
InChIKeyKHQMBDQDBZEFCD-UHFFFAOYSA-N
XLogP0.09
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide 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-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide (CID 58785818) is N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide is CN(CCS(=O)(=O)C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide?
The InChIKey is KHQMBDQDBZEFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S2/c1-8(2,3)15(12,13)7-6-9(4)14(5,10)11/h6-7H2,1-5H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide?
N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide has a molecular weight of 257.38 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 58785818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).