N-(2-methylpentan-2-yl)butane-1-sulfonamide

C10H23NO2S — CID 134402400

IUPACN-(2-methylpentan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)(C)CCC
InChIInChI=1S/C10H23NO2S/c1-5-7-9-14(12,13)11-10(3,4)8-6-2/h11H,5-9H2,1-4H3
InChIKeyJKBYBHNVJVDVLI-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.28
Rot. Bonds7

About N-(2-methylpentan-2-yl)butane-1-sulfonamide

N-(2-methylpentan-2-yl)butane-1-sulfonamide (PubChem CID 134402400) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)butane-1-sulfonamide
PubChem CID134402400
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-(2-methylpentan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)(C)CCC
InChIInChI=1S/C10H23NO2S/c1-5-7-9-14(12,13)11-10(3,4)8-6-2/h11H,5-9H2,1-4H3
InChIKeyJKBYBHNVJVDVLI-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)butane-1-sulfonamide?
The IUPAC name of N-(2-methylpentan-2-yl)butane-1-sulfonamide (CID 134402400) is N-(2-methylpentan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)butane-1-sulfonamide?
The canonical SMILES for N-(2-methylpentan-2-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC(C)(C)CCC.
What is the InChIKey of N-(2-methylpentan-2-yl)butane-1-sulfonamide?
The InChIKey is JKBYBHNVJVDVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-7-9-14(12,13)11-10(3,4)8-6-2/h11H,5-9H2,1-4H3.
What are the key properties of N-(2-methylpentan-2-yl)butane-1-sulfonamide?
N-(2-methylpentan-2-yl)butane-1-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 134402400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).