N-butylsulfonyl-N-methylhexane-1-sulfonamide

C11H25NO4S2 — CID 167138373

IUPACN-butylsulfonyl-N-methylhexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)N(C)S(=O)(=O)CCCC
InChIInChI=1S/C11H25NO4S2/c1-4-6-8-9-11-18(15,16)12(3)17(13,14)10-7-5-2/h4-11H2,1-3H3
InChIKeyQGYNEAICUWVTBV-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.96
Rot. Bonds10

About N-butylsulfonyl-N-methylhexane-1-sulfonamide

N-butylsulfonyl-N-methylhexane-1-sulfonamide (PubChem CID 167138373) has the molecular formula C11H25NO4S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-butylsulfonyl-N-methylhexane-1-sulfonamide.

Molecular Properties

Compound NameN-butylsulfonyl-N-methylhexane-1-sulfonamide
PubChem CID167138373
Molecular FormulaC11H25NO4S2
Molecular Weight299.46 g/mol
Exact Mass299.12
IUPAC NameN-butylsulfonyl-N-methylhexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)N(C)S(=O)(=O)CCCC
InChIInChI=1S/C11H25NO4S2/c1-4-6-8-9-11-18(15,16)12(3)17(13,14)10-7-5-2/h4-11H2,1-3H3
InChIKeyQGYNEAICUWVTBV-UHFFFAOYSA-N
XLogP1.96
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylheptane-1-sulfonamide
CID 118391256
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
N-butylsulfonyl-N-oxidopentane-1-sulfonamide
CID 163844134
N,N-diaminopentane-1-sulfonamide
CID 88729680
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
dimethylamino nonadecane-1-sulfonate
CID 57284762
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium
CID 73352537
1-methylsulfonylnonane
CID 19089493
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693

Frequently Asked Questions

What is the IUPAC name of N-butylsulfonyl-N-methylhexane-1-sulfonamide?
The IUPAC name of N-butylsulfonyl-N-methylhexane-1-sulfonamide (CID 167138373) is N-butylsulfonyl-N-methylhexane-1-sulfonamide.
What is the SMILES notation for N-butylsulfonyl-N-methylhexane-1-sulfonamide?
The canonical SMILES for N-butylsulfonyl-N-methylhexane-1-sulfonamide is CCCCCCS(=O)(=O)N(C)S(=O)(=O)CCCC.
What is the InChIKey of N-butylsulfonyl-N-methylhexane-1-sulfonamide?
The InChIKey is QGYNEAICUWVTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S2/c1-4-6-8-9-11-18(15,16)12(3)17(13,14)10-7-5-2/h4-11H2,1-3H3.
What are the key properties of N-butylsulfonyl-N-methylhexane-1-sulfonamide?
N-butylsulfonyl-N-methylhexane-1-sulfonamide has a molecular weight of 299.46 g/mol, XLogP of 1.96, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonyl-N-methylhexane-1-sulfonamide is sourced from PubChem (CID 167138373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).