N-[3-(dibutylamino)propyl]methanesulfonamide;methane

C13H32N2O2S — CID 159472690

IUPACN-[3-(dibutylamino)propyl]methanesulfonamide;methane
SMILESC.CCCCN(CCCC)CCCNS(C)(=O)=O
InChIInChI=1S/C12H28N2O2S.CH4/c1-4-6-10-14(11-7-5-2)12-8-9-13-17(3,15)16;/h13H,4-12H2,1-3H3;1H4
InChIKeyLVZPXDKHBYKMCK-UHFFFAOYSA-N
MW280.48 g/mol
LogP2.46
Rot. Bonds11

About N-[3-(dibutylamino)propyl]methanesulfonamide;methane

N-[3-(dibutylamino)propyl]methanesulfonamide;methane (PubChem CID 159472690) has the molecular formula C13H32N2O2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[3-(dibutylamino)propyl]methanesulfonamide;methane.

Molecular Properties

Compound NameN-[3-(dibutylamino)propyl]methanesulfonamide;methane
PubChem CID159472690
Molecular FormulaC13H32N2O2S
Molecular Weight280.48 g/mol
Exact Mass280.22
IUPAC NameN-[3-(dibutylamino)propyl]methanesulfonamide;methane
SMILESC.CCCCN(CCCC)CCCNS(C)(=O)=O
InChIInChI=1S/C12H28N2O2S.CH4/c1-4-6-10-14(11-7-5-2)12-8-9-13-17(3,15)16;/h13H,4-12H2,1-3H3;1H4
InChIKeyLVZPXDKHBYKMCK-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine
CID 53320822
N-[3-[4-(3-aminopropylamino)butylamino]propyl]butane-1-sulfonamide
CID 9966965
N-(3-aminopropyl)-N-ethylmethanesulfonamide
CID 23010540
Taurine tetrabutylammonium salt
CID 18413528
N-[3-(2,2-dimethylpropylamino)propyl]methanesulfonamide
CID 53584383
N-[3-(dimethylamino)propyl]propane-1-sulfonamide
CID 60641853
Tripropylammonium mesylate
CID 171393722
N-ethyl-N-[3-(2-fluoroethylamino)propyl]methanesulfonamide
CID 80695162
N-ethyl-N-[3-(3-fluoropropylamino)propyl]methanesulfonamide
CID 81105224
Methanesulfonamide, N-[3-(diethylamino)propyl]-
CID 3330231
N-[3-(dimethylamino)propyl]methanesulfonamide
CID 4649199
N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 17639898

Frequently Asked Questions

What is the IUPAC name of N-[3-(dibutylamino)propyl]methanesulfonamide;methane?
The IUPAC name of N-[3-(dibutylamino)propyl]methanesulfonamide;methane (CID 159472690) is N-[3-(dibutylamino)propyl]methanesulfonamide;methane.
What is the SMILES notation for N-[3-(dibutylamino)propyl]methanesulfonamide;methane?
The canonical SMILES for N-[3-(dibutylamino)propyl]methanesulfonamide;methane is C.CCCCN(CCCC)CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(dibutylamino)propyl]methanesulfonamide;methane?
The InChIKey is LVZPXDKHBYKMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S.CH4/c1-4-6-10-14(11-7-5-2)12-8-9-13-17(3,15)16;/h13H,4-12H2,1-3H3;1H4.
What are the key properties of N-[3-(dibutylamino)propyl]methanesulfonamide;methane?
N-[3-(dibutylamino)propyl]methanesulfonamide;methane has a molecular weight of 280.48 g/mol, XLogP of 2.46, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)propyl]methanesulfonamide;methane is sourced from PubChem (CID 159472690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).