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

C12H23NO2S — CID 19681008

IUPACN-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-3-11-16(14,15)13-10-9-12-7-5-4-6-8-12/h7,13H,2-6,8-11H2,1H3
InChIKeyOYBPCWQOBNDJDV-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.60
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide (PubChem CID 19681008) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide
PubChem CID19681008
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-3-11-16(14,15)13-10-9-12-7-5-4-6-8-12/h7,13H,2-6,8-11H2,1H3
InChIKeyOYBPCWQOBNDJDV-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.60
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]butane-1-sulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide (CID 19681008) is N-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide?
The InChIKey is OYBPCWQOBNDJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-3-11-16(14,15)13-10-9-12-7-5-4-6-8-12/h7,13H,2-6,8-11H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]butane-1-sulfonamide has a molecular weight of 245.39 g/mol, XLogP of 2.60, 7 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]butane-1-sulfonamide is sourced from PubChem (CID 19681008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).