N-(4,4,5-trimethylhexyl)methanesulfonamide

C10H23NO2S — CID 20706669

IUPACN-(4,4,5-trimethylhexyl)methanesulfonamide
SMILESCC(C)C(C)(C)CCCNS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-9(2)10(3,4)7-6-8-11-14(5,12)13/h9,11H,6-8H2,1-5H3
InChIKeyNYUTWFDNOOIVFQ-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.00
Rot. Bonds6

About N-(4,4,5-trimethylhexyl)methanesulfonamide

N-(4,4,5-trimethylhexyl)methanesulfonamide (PubChem CID 20706669) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(4,4,5-trimethylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4,4,5-trimethylhexyl)methanesulfonamide
PubChem CID20706669
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-(4,4,5-trimethylhexyl)methanesulfonamide
SMILESCC(C)C(C)(C)CCCNS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-9(2)10(3,4)7-6-8-11-14(5,12)13/h9,11H,6-8H2,1-5H3
InChIKeyNYUTWFDNOOIVFQ-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,5-trimethylhexyl)methanesulfonamide?
The IUPAC name of N-(4,4,5-trimethylhexyl)methanesulfonamide (CID 20706669) is N-(4,4,5-trimethylhexyl)methanesulfonamide.
What is the SMILES notation for N-(4,4,5-trimethylhexyl)methanesulfonamide?
The canonical SMILES for N-(4,4,5-trimethylhexyl)methanesulfonamide is CC(C)C(C)(C)CCCNS(C)(=O)=O.
What is the InChIKey of N-(4,4,5-trimethylhexyl)methanesulfonamide?
The InChIKey is NYUTWFDNOOIVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(2)10(3,4)7-6-8-11-14(5,12)13/h9,11H,6-8H2,1-5H3.
What are the key properties of N-(4,4,5-trimethylhexyl)methanesulfonamide?
N-(4,4,5-trimethylhexyl)methanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,5-trimethylhexyl)methanesulfonamide is sourced from PubChem (CID 20706669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).