N-(5,5-dimethylhexyl)methanesulfonamide

C9H21NO2S — CID 20706690

IUPACN-(5,5-dimethylhexyl)methanesulfonamide
SMILESCC(C)(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-9(2,3)7-5-6-8-10-13(4,11)12/h10H,5-8H2,1-4H3
InChIKeyVMFVIEFYINMJJL-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds5

About N-(5,5-dimethylhexyl)methanesulfonamide

N-(5,5-dimethylhexyl)methanesulfonamide (PubChem CID 20706690) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)methanesulfonamide
PubChem CID20706690
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(5,5-dimethylhexyl)methanesulfonamide
SMILESCC(C)(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-9(2,3)7-5-6-8-10-13(4,11)12/h10H,5-8H2,1-4H3
InChIKeyVMFVIEFYINMJJL-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
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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Related Compounds

N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366
N-(4,4-dimethylpentyl)sulfamoyl fluoride
CID 59881111
sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
N-(5-iodopentyl)methanesulfonamide
CID 107322901
N-(5-chloropentyl)methanesulfonamide
CID 107322792
N-(5-bromopentyl)methanesulfonamide
CID 107323102
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
N-(3-aminopropyl)methanesulfonamide
CID 18350602
N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide
CID 121481055
N-(5-methylhexyl)methanesulfonamide
CID 58970685
N-[3-(4,4,4-trifluorobutylamino)propyl]methanesulfonamide
CID 106336415
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)methanesulfonamide?
The IUPAC name of N-(5,5-dimethylhexyl)methanesulfonamide (CID 20706690) is N-(5,5-dimethylhexyl)methanesulfonamide.
What is the SMILES notation for N-(5,5-dimethylhexyl)methanesulfonamide?
The canonical SMILES for N-(5,5-dimethylhexyl)methanesulfonamide is CC(C)(C)CCCCNS(C)(=O)=O.
What is the InChIKey of N-(5,5-dimethylhexyl)methanesulfonamide?
The InChIKey is VMFVIEFYINMJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-9(2,3)7-5-6-8-10-13(4,11)12/h10H,5-8H2,1-4H3.
What are the key properties of N-(5,5-dimethylhexyl)methanesulfonamide?
N-(5,5-dimethylhexyl)methanesulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)methanesulfonamide is sourced from PubChem (CID 20706690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).