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

C9H21NO2S — CID 19682087

IUPACN-(2-methylbutan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)(C)CC
InChIInChI=1S/C9H21NO2S/c1-5-7-8-13(11,12)10-9(3,4)6-2/h10H,5-8H2,1-4H3
InChIKeyFCJMLJXJXMDNRB-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.89
Rot. Bonds6

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

N-(2-methylbutan-2-yl)butane-1-sulfonamide (PubChem CID 19682087) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)butane-1-sulfonamide
PubChem CID19682087
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(2-methylbutan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)(C)CC
InChIInChI=1S/C9H21NO2S/c1-5-7-8-13(11,12)10-9(3,4)6-2/h10H,5-8H2,1-4H3
InChIKeyFCJMLJXJXMDNRB-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)butane-1-sulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)butane-1-sulfonamide (CID 19682087) is N-(2-methylbutan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)butane-1-sulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC(C)(C)CC.
What is the InChIKey of N-(2-methylbutan-2-yl)butane-1-sulfonamide?
The InChIKey is FCJMLJXJXMDNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-7-8-13(11,12)10-9(3,4)6-2/h10H,5-8H2,1-4H3.
What are the key properties of N-(2-methylbutan-2-yl)butane-1-sulfonamide?
N-(2-methylbutan-2-yl)butane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 19682087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).