N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide

C11H21NO2S — CID 61361231

IUPACN-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C11H21NO2S/c1-10(2)15(13,14)12-9-8-11-6-4-3-5-7-11/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyLYTQWWISGVTVKV-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.20
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide

N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide (PubChem CID 61361231) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide
PubChem CID61361231
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C11H21NO2S/c1-10(2)15(13,14)12-9-8-11-6-4-3-5-7-11/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyLYTQWWISGVTVKV-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide (CID 61361231) is N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide?
The InChIKey is LYTQWWISGVTVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-10(2)15(13,14)12-9-8-11-6-4-3-5-7-11/h6,10,12H,3-5,7-9H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 61361231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).