N-tert-butyl-N-(4-methylhexyl)methanesulfonamide

C12H27NO2S — CID 88991698

IUPACN-tert-butyl-N-(4-methylhexyl)methanesulfonamide
SMILESCCC(C)CCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-7-11(2)9-8-10-13(12(3,4)5)16(6,14)15/h11H,7-10H2,1-6H3
InChIKeyWMJUYPLVJQBVMW-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.87
Rot. Bonds6

About N-tert-butyl-N-(4-methylhexyl)methanesulfonamide

N-tert-butyl-N-(4-methylhexyl)methanesulfonamide (PubChem CID 88991698) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-tert-butyl-N-(4-methylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-(4-methylhexyl)methanesulfonamide
PubChem CID88991698
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-tert-butyl-N-(4-methylhexyl)methanesulfonamide
SMILESCCC(C)CCCN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-7-11(2)9-8-10-13(12(3,4)5)16(6,14)15/h11H,7-10H2,1-6H3
InChIKeyWMJUYPLVJQBVMW-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(4-methylhexyl)methanesulfonamide?
The IUPAC name of N-tert-butyl-N-(4-methylhexyl)methanesulfonamide (CID 88991698) is N-tert-butyl-N-(4-methylhexyl)methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-(4-methylhexyl)methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-(4-methylhexyl)methanesulfonamide is CCC(C)CCCN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-(4-methylhexyl)methanesulfonamide?
The InChIKey is WMJUYPLVJQBVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-7-11(2)9-8-10-13(12(3,4)5)16(6,14)15/h11H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-N-(4-methylhexyl)methanesulfonamide?
N-tert-butyl-N-(4-methylhexyl)methanesulfonamide has a molecular weight of 249.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4-methylhexyl)methanesulfonamide is sourced from PubChem (CID 88991698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).