N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide

C11H25NO2S — CID 20657896

IUPACN-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)CCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-10(2,3)8-7-9-12-15(13,14)11(4,5)6/h12H,7-9H2,1-6H3
InChIKeyMQLOQBKLCJAABB-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.53
Rot. Bonds4

About N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide

N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide (PubChem CID 20657896) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide
PubChem CID20657896
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)CCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-10(2,3)8-7-9-12-15(13,14)11(4,5)6/h12H,7-9H2,1-6H3
InChIKeyMQLOQBKLCJAABB-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.53
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

5-Amino-2,2-dimethylpentane-1-sulfonyl fluoride
CID 165870539
2-methyl-N-(3-methylbutyl)propane-2-sulfonamide
CID 20657897
N-(4,4,5,5-tetramethylhexyl)methanesulfonamide
CID 20706667
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
N-(3,3,4,4-tetramethylpentyl)methanesulfonamide
CID 20774377
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366
N-hexyl-2-methylpentane-3-sulfonamide
CID 21426679
[1-(Aminomethyl)-3,3-dimethylcyclobutyl]methanesulfonamide
CID 21888226
1-Amino-2,4,4-trimethylpentane-2-sulfonic acid
CID 50907415
N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide
CID 58124408
N-(3,3-dimethylbutyl)ethanesulfonamide
CID 58530542
N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide
CID 59266019

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide (CID 20657896) is N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide is CC(C)(C)CCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide?
The InChIKey is MQLOQBKLCJAABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-10(2,3)8-7-9-12-15(13,14)11(4,5)6/h12H,7-9H2,1-6H3.
What are the key properties of N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide?
N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.53, 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)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 20657896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).