methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene

C12H21NO2S — CID 158947409

IUPACmethane;N-methylprop-1-en-1-amine;methylsulfonylbenzene
SMILESC.CC=CNC.CS(=O)(=O)c1ccccc1
InChIInChI=1S/C7H8O2S.C4H9N.CH4/c1-10(8,9)7-5-3-2-4-6-7;1-3-4-5-2;/h2-6H,1H3;3-5H,1-2H3;1H4
InChIKeyJKZMNXIPKDBCKE-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.47
Rot. Bonds2

About methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene

methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene (PubChem CID 158947409) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene.

Molecular Properties

Compound Namemethane;N-methylprop-1-en-1-amine;methylsulfonylbenzene
PubChem CID158947409
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Namemethane;N-methylprop-1-en-1-amine;methylsulfonylbenzene
SMILESC.CC=CNC.CS(=O)(=O)c1ccccc1
InChIInChI=1S/C7H8O2S.C4H9N.CH4/c1-10(8,9)7-5-3-2-4-6-7;1-3-4-5-2;/h2-6H,1H3;3-5H,1-2H3;1H4
InChIKeyJKZMNXIPKDBCKE-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
methane;methylsulfonylbenzene;4-methylsulfonylphenol
CID 161395670
carbonofluoridic acid;methylsulfonylbenzene
CID 174721962
ethane;5-methyl-1-methylsulfonylcyclodeca-1,3,5,7,9-pentaene
CID 143718879
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
ethane;methane;N-methylbenzenesulfonamide
CID 159487495
4-methylsulfonyl-N'-phenylbenzohydrazide
CID 15453816
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone
CID 174806443
(amino-ethylidene-oxo-λ6-sulfanyl)benzene
CID 91607483
[(4-methylsulfonylphenyl)-phenylmethyl]hydrazine
CID 105282883
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889

Frequently Asked Questions

What is the IUPAC name of methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene?
The IUPAC name of methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene (CID 158947409) is methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene.
What is the SMILES notation for methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene?
The canonical SMILES for methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene is C.CC=CNC.CS(=O)(=O)c1ccccc1.
What is the InChIKey of methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene?
The InChIKey is JKZMNXIPKDBCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S.C4H9N.CH4/c1-10(8,9)7-5-3-2-4-6-7;1-3-4-5-2;/h2-6H,1H3;3-5H,1-2H3;1H4.
What are the key properties of methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene?
methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene has a molecular weight of 243.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methylprop-1-en-1-amine;methylsulfonylbenzene is sourced from PubChem (CID 158947409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).