N,N-dibutyl-4-methylsulfonylbutan-1-amine

C13H29NO2S — CID 58058792

IUPACN,N-dibutyl-4-methylsulfonylbutan-1-amine
SMILESCCCCN(CCCC)CCCCS(C)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-4-6-10-14(11-7-5-2)12-8-9-13-17(3,15)16/h4-13H2,1-3H3
InChIKeyZHYYIOYTQXBZLL-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.71
Rot. Bonds11

About N,N-dibutyl-4-methylsulfonylbutan-1-amine

N,N-dibutyl-4-methylsulfonylbutan-1-amine (PubChem CID 58058792) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N,N-dibutyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-4-methylsulfonylbutan-1-amine
PubChem CID58058792
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN,N-dibutyl-4-methylsulfonylbutan-1-amine
SMILESCCCCN(CCCC)CCCCS(C)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-4-6-10-14(11-7-5-2)12-8-9-13-17(3,15)16/h4-13H2,1-3H3
InChIKeyZHYYIOYTQXBZLL-UHFFFAOYSA-N
XLogP2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfonylnonane
CID 19089493
2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
CID 63196306
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N,N-dibutylpentadecan-1-amine
CID 4175227
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N,N-dihexylhexan-1-amine;sulfuric acid
CID 172853690
bis(N,N-dihexylhexan-1-amine);sulfuric acid
CID 71357248
3-(dipentylamino)propane-1-sulfonyl chloride
CID 112594628
2-[butyl(2-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 131862284
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of N,N-dibutyl-4-methylsulfonylbutan-1-amine (CID 58058792) is N,N-dibutyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for N,N-dibutyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for N,N-dibutyl-4-methylsulfonylbutan-1-amine is CCCCN(CCCC)CCCCS(C)(=O)=O.
What is the InChIKey of N,N-dibutyl-4-methylsulfonylbutan-1-amine?
The InChIKey is ZHYYIOYTQXBZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-4-6-10-14(11-7-5-2)12-8-9-13-17(3,15)16/h4-13H2,1-3H3.
What are the key properties of N,N-dibutyl-4-methylsulfonylbutan-1-amine?
N,N-dibutyl-4-methylsulfonylbutan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 2.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 58058792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).