N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide

C10H20N2O2S — CID 43208203

IUPACN-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC1CC=CCC1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-8-7-11-9-10-5-3-2-4-6-10/h2-3,10-12H,4-9H2,1H3
InChIKeyFIZOXHQYNPXHRU-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.48
Rot. Bonds6

About N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide

N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide (PubChem CID 43208203) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide
PubChem CID43208203
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC1CC=CCC1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-8-7-11-9-10-5-3-2-4-6-10/h2-3,10-12H,4-9H2,1H3
InChIKeyFIZOXHQYNPXHRU-UHFFFAOYSA-N
XLogP0.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.48
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide (CID 43208203) is N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNCC1CC=CCC1.
What is the InChIKey of N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide?
The InChIKey is FIZOXHQYNPXHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15(13,14)12-8-7-11-9-10-5-3-2-4-6-10/h2-3,10-12H,4-9H2,1H3.
What are the key properties of N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide?
N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 43208203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).