N-(4,4-dimethylpentyl)methanesulfonamide;ethane

C10H25NO2S — CID 142011899

IUPACN-(4,4-dimethylpentyl)methanesulfonamide;ethane
SMILESCC.CC(C)(C)CCCNS(C)(=O)=O
InChIInChI=1S/C8H19NO2S.C2H6/c1-8(2,3)6-5-7-9-12(4,10)11;1-2/h9H,5-7H2,1-4H3;1-2H3
InChIKeyRWRWQSVJKQOCEY-UHFFFAOYSA-N
MW223.38 g/mol
LogP2.39
Rot. Bonds4

About N-(4,4-dimethylpentyl)methanesulfonamide;ethane

N-(4,4-dimethylpentyl)methanesulfonamide;ethane (PubChem CID 142011899) has the molecular formula C10H25NO2S and a molecular weight of 223.38 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)methanesulfonamide;ethane.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)methanesulfonamide;ethane
PubChem CID142011899
Molecular FormulaC10H25NO2S
Molecular Weight223.38 g/mol
Exact Mass223.16
IUPAC NameN-(4,4-dimethylpentyl)methanesulfonamide;ethane
SMILESCC.CC(C)(C)CCCNS(C)(=O)=O
InChIInChI=1S/C8H19NO2S.C2H6/c1-8(2,3)6-5-7-9-12(4,10)11;1-2/h9H,5-7H2,1-4H3;1-2H3
InChIKeyRWRWQSVJKQOCEY-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 52.39
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-dimethylpentyl)methanesulfonamide;ethane?
The IUPAC name of N-(4,4-dimethylpentyl)methanesulfonamide;ethane (CID 142011899) is N-(4,4-dimethylpentyl)methanesulfonamide;ethane.
What is the SMILES notation for N-(4,4-dimethylpentyl)methanesulfonamide;ethane?
The canonical SMILES for N-(4,4-dimethylpentyl)methanesulfonamide;ethane is CC.CC(C)(C)CCCNS(C)(=O)=O.
What is the InChIKey of N-(4,4-dimethylpentyl)methanesulfonamide;ethane?
The InChIKey is RWRWQSVJKQOCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S.C2H6/c1-8(2,3)6-5-7-9-12(4,10)11;1-2/h9H,5-7H2,1-4H3;1-2H3.
What are the key properties of N-(4,4-dimethylpentyl)methanesulfonamide;ethane?
N-(4,4-dimethylpentyl)methanesulfonamide;ethane has a molecular weight of 223.38 g/mol, XLogP of 2.39, 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;ethane is sourced from PubChem (CID 142011899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).