2-methyl-N-methylsulfonylbutane-1-sulfonamide

C6H15NO4S2 — CID 158232370

IUPAC2-methyl-N-methylsulfonylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C6H15NO4S2/c1-4-6(2)5-13(10,11)7-12(3,8)9/h6-7H,4-5H2,1-3H3
InChIKeyDRJZQGDIEZZPEC-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.09
Rot. Bonds5

About 2-methyl-N-methylsulfonylbutane-1-sulfonamide

2-methyl-N-methylsulfonylbutane-1-sulfonamide (PubChem CID 158232370) has the molecular formula C6H15NO4S2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-N-methylsulfonylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-methylsulfonylbutane-1-sulfonamide
PubChem CID158232370
Molecular FormulaC6H15NO4S2
Molecular Weight229.32 g/mol
Exact Mass229.04
IUPAC Name2-methyl-N-methylsulfonylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C6H15NO4S2/c1-4-6(2)5-13(10,11)7-12(3,8)9/h6-7H,4-5H2,1-3H3
InChIKeyDRJZQGDIEZZPEC-UHFFFAOYSA-N
XLogP-0.09
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide
CID 111440038
2-methylbutane-1-sulfonic acid;yttrium
CID 59092791
N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide
CID 97025394
N-(2-methylbutylsulfonyl)cyclobutanecarboxamide
CID 71931535
N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide
CID 111439936
N-(3-hydroxypentan-2-yl)methanesulfonamide
CID 131228014
2-(2-methylbutylsulfonyl)propanoic acid
CID 62105863
4-methyl-N-methylsulfonylpentane-1-sulfonamide
CID 146494424
4-methyl-1-methylsulfonylhexan-2-ol
CID 115601617
(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
CID 97025412
N-(2-methylbutyl)ethanesulfonamide
CID 64584156

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-methylsulfonylbutane-1-sulfonamide?
The IUPAC name of 2-methyl-N-methylsulfonylbutane-1-sulfonamide (CID 158232370) is 2-methyl-N-methylsulfonylbutane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-methylsulfonylbutane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-methylsulfonylbutane-1-sulfonamide is CCC(C)CS(=O)(=O)NS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-methylsulfonylbutane-1-sulfonamide?
The InChIKey is DRJZQGDIEZZPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO4S2/c1-4-6(2)5-13(10,11)7-12(3,8)9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-methylsulfonylbutane-1-sulfonamide?
2-methyl-N-methylsulfonylbutane-1-sulfonamide has a molecular weight of 229.32 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-methylsulfonylbutane-1-sulfonamide is sourced from PubChem (CID 158232370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).