N,N-dimethylmethanesulfonamide;ethane;hexane

C11H29NO2S — CID 91522077

IUPACN,N-dimethylmethanesulfonamide;ethane;hexane
SMILESCC.CCCCCC.CN(C)S(C)(=O)=O
InChIInChI=1S/C6H14.C3H9NO2S.C2H6/c1-3-5-6-4-2;1-4(2)7(3,5)6;1-2/h3-6H2,1-2H3;1-3H3;1-2H3
InChIKeyNPCUMMPEXHFDGN-UHFFFAOYSA-N
MW239.42 g/mol
LogP3.12
Rot. Bonds4

About N,N-dimethylmethanesulfonamide;ethane;hexane

N,N-dimethylmethanesulfonamide;ethane;hexane (PubChem CID 91522077) has the molecular formula C11H29NO2S and a molecular weight of 239.42 g/mol. Its IUPAC name is N,N-dimethylmethanesulfonamide;ethane;hexane.

Molecular Properties

Compound NameN,N-dimethylmethanesulfonamide;ethane;hexane
PubChem CID91522077
Molecular FormulaC11H29NO2S
Molecular Weight239.42 g/mol
Exact Mass239.19
IUPAC NameN,N-dimethylmethanesulfonamide;ethane;hexane
SMILESCC.CCCCCC.CN(C)S(C)(=O)=O
InChIInChI=1S/C6H14.C3H9NO2S.C2H6/c1-3-5-6-4-2;1-4(2)7(3,5)6;1-2/h3-6H2,1-2H3;1-3H3;1-2H3
InChIKeyNPCUMMPEXHFDGN-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethylsulfamic acid;heptadecane
CID 173271446
heptane;methylsulfonylmethane
CID 176706405
N,N-dimethylmethanamine;ethane;hexane
CID 143103490
1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)
CID 158984698
butane;ethane;methanesulfonic acid;octane
CID 144526252
N,N-dimethylheptane-1-sulfonamide
CID 118391256
hexane;sulfamide
CID 87750585
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
N,N-dimethylmethanamine;tridecane
CID 174432259
N-(3-bromopropyl)-N-butylmethanesulfonamide
CID 138921783
N,N-dihexylhexan-1-amine;sulfuric acid
CID 172853690
bis(N,N-dihexylhexan-1-amine);sulfuric acid
CID 71357248

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanesulfonamide;ethane;hexane?
The IUPAC name of N,N-dimethylmethanesulfonamide;ethane;hexane (CID 91522077) is N,N-dimethylmethanesulfonamide;ethane;hexane.
What is the SMILES notation for N,N-dimethylmethanesulfonamide;ethane;hexane?
The canonical SMILES for N,N-dimethylmethanesulfonamide;ethane;hexane is CC.CCCCCC.CN(C)S(C)(=O)=O.
What is the InChIKey of N,N-dimethylmethanesulfonamide;ethane;hexane?
The InChIKey is NPCUMMPEXHFDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H9NO2S.C2H6/c1-3-5-6-4-2;1-4(2)7(3,5)6;1-2/h3-6H2,1-2H3;1-3H3;1-2H3.
What are the key properties of N,N-dimethylmethanesulfonamide;ethane;hexane?
N,N-dimethylmethanesulfonamide;ethane;hexane has a molecular weight of 239.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanesulfonamide;ethane;hexane is sourced from PubChem (CID 91522077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).