N-tert-butyl-3-methylhexane-3-sulfonamide

C11H25NO2S — CID 89207727

IUPACN-tert-butyl-3-methylhexane-3-sulfonamide
SMILESCCCC(C)(CC)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-7-9-11(6,8-2)15(13,14)12-10(3,4)5/h12H,7-9H2,1-6H3
InChIKeyBUHCTENIEMENEU-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.67
Rot. Bonds5

About N-tert-butyl-3-methylhexane-3-sulfonamide

N-tert-butyl-3-methylhexane-3-sulfonamide (PubChem CID 89207727) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-tert-butyl-3-methylhexane-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-methylhexane-3-sulfonamide
PubChem CID89207727
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-tert-butyl-3-methylhexane-3-sulfonamide
SMILESCCCC(C)(CC)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-7-9-11(6,8-2)15(13,14)12-10(3,4)5/h12H,7-9H2,1-6H3
InChIKeyBUHCTENIEMENEU-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methylhexane-3-sulfonamide?
The IUPAC name of N-tert-butyl-3-methylhexane-3-sulfonamide (CID 89207727) is N-tert-butyl-3-methylhexane-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-methylhexane-3-sulfonamide?
The canonical SMILES for N-tert-butyl-3-methylhexane-3-sulfonamide is CCCC(C)(CC)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methylhexane-3-sulfonamide?
The InChIKey is BUHCTENIEMENEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-7-9-11(6,8-2)15(13,14)12-10(3,4)5/h12H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-3-methylhexane-3-sulfonamide?
N-tert-butyl-3-methylhexane-3-sulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methylhexane-3-sulfonamide is sourced from PubChem (CID 89207727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).