2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide

C9H18N2O2S — CID 43551764

IUPAC2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CC=CCC1
InChIInChI=1S/C9H18N2O2S/c10-14(12,13)7-6-11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-8H2,(H2,10,12,13)
InChIKeyNRMDZDUPEPXPKZ-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.22
Rot. Bonds5

About 2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide

2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide (PubChem CID 43551764) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide
PubChem CID43551764
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CC=CCC1
InChIInChI=1S/C9H18N2O2S/c10-14(12,13)7-6-11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-8H2,(H2,10,12,13)
InChIKeyNRMDZDUPEPXPKZ-UHFFFAOYSA-N
XLogP0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-ethyl-2-methylsulfonylbutan-1-amine
CID 97240117
(4-Fluoro-6-piperidin-1-ylsulfonylcyclohex-2-en-1-yl)methanamine
CID 143465958
N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 75431534
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97326166
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97326167
4-(2-Aminoethyl)cyclohexene-1-sulfonamide
CID 70974426
(3E,6S)-6-methyl-8-(methylamino)octa-1,3-diene-3-sulfonamide
CID 89073975
(2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide
CID 89154006
(Z)-N-[3-[3-[(3-ethyl-3-methylpentyl)amino]propylamino]propyl]dodec-7-ene-1-sulfonamide
CID 89248823
5-(Aminomethyl)cyclohex-2-ene-1-sulfonamide
CID 132094592
(E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide
CID 163637469
4-Butyl-4-(butylamino)cyclohexa-1,5-diene-1-sulfonamide
CID 164165792

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide (CID 43551764) is 2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide is NS(=O)(=O)CCNCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide?
The InChIKey is NRMDZDUPEPXPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-14(12,13)7-6-11-8-9-4-2-1-3-5-9/h1-2,9,11H,3-8H2,(H2,10,12,13).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide?
2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 43551764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).