N-(4,4-dimethylpentyl)methanesulfonamide

C8H19NO2S — CID 20776366

IUPACN-(4,4-dimethylpentyl)methanesulfonamide
SMILESCC(C)(C)CCCNS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-8(2,3)6-5-7-9-12(4,10)11/h9H,5-7H2,1-4H3
InChIKeyZCPJGLYXQIOLEP-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.36
Rot. Bonds4

About N-(4,4-dimethylpentyl)methanesulfonamide

N-(4,4-dimethylpentyl)methanesulfonamide (PubChem CID 20776366) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)methanesulfonamide
PubChem CID20776366
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(4,4-dimethylpentyl)methanesulfonamide
SMILESCC(C)(C)CCCNS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-8(2,3)6-5-7-9-12(4,10)11/h9H,5-7H2,1-4H3
InChIKeyZCPJGLYXQIOLEP-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.36
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-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
N-(4,4-dimethylpentyl)sulfamoyl fluoride
CID 59881111
N-[3-(4,4,4-trifluorobutylamino)propyl]methanesulfonamide
CID 106336415
N-(3-aminopropyl)methanesulfonamide
CID 18350602
N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide
CID 121481055
methane;N-[3-(methylamino)propyl]methanesulfonamide
CID 157130304
sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide
CID 106339646
N-(5-bromopentyl)methanesulfonamide
CID 107323102
N-(5-chloropentyl)methanesulfonamide
CID 107322792
N-(5-iodopentyl)methanesulfonamide
CID 107322901
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)methanesulfonamide?
The IUPAC name of N-(4,4-dimethylpentyl)methanesulfonamide (CID 20776366) is N-(4,4-dimethylpentyl)methanesulfonamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)methanesulfonamide?
The canonical SMILES for N-(4,4-dimethylpentyl)methanesulfonamide is CC(C)(C)CCCNS(C)(=O)=O.
What is the InChIKey of N-(4,4-dimethylpentyl)methanesulfonamide?
The InChIKey is ZCPJGLYXQIOLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-8(2,3)6-5-7-9-12(4,10)11/h9H,5-7H2,1-4H3.
What are the key properties of N-(4,4-dimethylpentyl)methanesulfonamide?
N-(4,4-dimethylpentyl)methanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)methanesulfonamide is sourced from PubChem (CID 20776366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).