N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane

C13H31NO4S2 — CID 91523486

IUPACN-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane
SMILESCC(C)(C)C.CN(CCS(=O)(=O)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C8H19NO4S2.C5H12/c1-8(2,3)15(12,13)7-6-9(4)14(5,10)11;1-5(2,3)4/h6-7H2,1-5H3;1-4H3
InChIKeyXUESTAMLMMVBKU-UHFFFAOYSA-N
MW329.53 g/mol
LogP2.14
Rot. Bonds4

About N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane

N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane (PubChem CID 91523486) has the molecular formula C13H31NO4S2 and a molecular weight of 329.53 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane
PubChem CID91523486
Molecular FormulaC13H31NO4S2
Molecular Weight329.53 g/mol
Exact Mass329.17
IUPAC NameN-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane
SMILESCC(C)(C)C.CN(CCS(=O)(=O)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C8H19NO4S2.C5H12/c1-8(2,3)15(12,13)7-6-9(4)14(5,10)11;1-5(2,3)4/h6-7H2,1-5H3;1-4H3
InChIKeyXUESTAMLMMVBKU-UHFFFAOYSA-N
XLogP2.14
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane (CID 91523486) is N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane is CC(C)(C)C.CN(CCS(=O)(=O)C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane?
The InChIKey is XUESTAMLMMVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S2.C5H12/c1-8(2,3)15(12,13)7-6-9(4)14(5,10)11;1-5(2,3)4/h6-7H2,1-5H3;1-4H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane?
N-(2-tert-butylsulfonylethyl)-N-methylmethanesulfonamide;2,2-dimethylpropane has a molecular weight of 329.53 g/mol, XLogP of 2.14, 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;2,2-dimethylpropane is sourced from PubChem (CID 91523486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).