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

C9H18N2O2S — CID 107906561

IUPACN-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1C=CCCC1
InChIInChI=1S/C9H18N2O2S/c1-14(12,13)11-8-7-10-9-5-3-2-4-6-9/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyCDMQBYZKVIRLLD-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.23
Rot. Bonds5

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

N-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide (PubChem CID 107906561) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide
PubChem CID107906561
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1C=CCCC1
InChIInChI=1S/C9H18N2O2S/c1-14(12,13)11-8-7-10-9-5-3-2-4-6-9/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyCDMQBYZKVIRLLD-UHFFFAOYSA-N
XLogP0.23
TPSA58.20 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 ≤ 50.23
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-2-en-1-ylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide (CID 107906561) is N-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1C=CCCC1.
What is the InChIKey of N-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide?
The InChIKey is CDMQBYZKVIRLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-14(12,13)11-8-7-10-9-5-3-2-4-6-9/h3,5,9-11H,2,4,6-8H2,1H3.
What are the key properties of N-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide?
N-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohex-2-en-1-ylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 107906561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).