N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane

C14H34N2O3S2 — CID 167494004

IUPACN-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane
SMILESCC.CC.CN(C)S(C)=O.CS(=O)(=O)NC1C=CCCC1
InChIInChI=1S/C7H13NO2S.C3H9NOS.2C2H6/c1-11(9,10)8-7-5-3-2-4-6-7;1-4(2)6(3)5;2*1-2/h3,5,7-8H,2,4,6H2,1H3;1-3H3;2*1-2H3
InChIKeyQBYZUUKVSYNXAB-UHFFFAOYSA-N
MW342.57 g/mol
LogP2.54
Rot. Bonds3

About N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane

N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane (PubChem CID 167494004) has the molecular formula C14H34N2O3S2 and a molecular weight of 342.57 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane
PubChem CID167494004
Molecular FormulaC14H34N2O3S2
Molecular Weight342.57 g/mol
Exact Mass342.20
IUPAC NameN-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane
SMILESCC.CC.CN(C)S(C)=O.CS(=O)(=O)NC1C=CCCC1
InChIInChI=1S/C7H13NO2S.C3H9NOS.2C2H6/c1-11(9,10)8-7-5-3-2-4-6-7;1-4(2)6(3)5;2*1-2/h3,5,7-8H,2,4,6H2,1H3;1-3H3;2*1-2H3
InChIKeyQBYZUUKVSYNXAB-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(Cyclohex-2-en-1-yl)methanesulfonamide
CID 71379088
1-methylsulfonyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridine
CID 66899353
N-cyclohex-2-en-1-ylpropane-2-sulfonamide
CID 131158057
N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane;N-methyl-N-propan-2-ylmethanesulfinamide
CID 167493575
N-cyclohex-2-en-1-ylmethanesulfinamide;ethane
CID 167493879
N-cyclohex-2-en-1-ylmethanesulfonamide;ethane
CID 172287631
N-[2-[cyclohex-2-en-1-yl(methyl)amino]ethyl]methanesulfonamide
CID 56789875
N-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanesulfonamide
CID 65678142
N-cyclohex-3-en-1-yl-2-(ethylamino)ethanesulfonamide
CID 65679163
N-cyclohex-3-en-1-yl-2-(methylamino)ethanesulfonamide
CID 65679164
N-[2-[[(1R)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide
CID 95626008
N-[2-[[(1S)-cyclohex-2-en-1-yl]-methylamino]ethyl]methanesulfonamide
CID 95626009

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane?
The IUPAC name of N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane (CID 167494004) is N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane.
What is the SMILES notation for N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane?
The canonical SMILES for N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane is CC.CC.CN(C)S(C)=O.CS(=O)(=O)NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane?
The InChIKey is QBYZUUKVSYNXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S.C3H9NOS.2C2H6/c1-11(9,10)8-7-5-3-2-4-6-7;1-4(2)6(3)5;2*1-2/h3,5,7-8H,2,4,6H2,1H3;1-3H3;2*1-2H3.
What are the key properties of N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane?
N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane has a molecular weight of 342.57 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane is sourced from PubChem (CID 167494004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).