N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide

C15H27NO2S — CID 58760675

IUPACN-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide
SMILESCC1CCC(S(=O)(=O)NC2/C=C\CCCCC2)CC1
InChIInChI=1S/C15H27NO2S/c1-13-9-11-15(12-10-13)19(17,18)16-14-7-5-3-2-4-6-8-14/h5,7,13-16H,2-4,6,8-12H2,1H3/b7-5-
InChIKeyBLGFOGBLSGEMPV-ALCCZGGFSA-N
MW285.45 g/mol
LogP3.37
Rot. Bonds3

About N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide

N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide (PubChem CID 58760675) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide
PubChem CID58760675
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide
SMILESCC1CCC(S(=O)(=O)NC2/C=C\CCCCC2)CC1
InChIInChI=1S/C15H27NO2S/c1-13-9-11-15(12-10-13)19(17,18)16-14-7-5-3-2-4-6-8-14/h5,7,13-16H,2-4,6,8-12H2,1H3/b7-5-
InChIKeyBLGFOGBLSGEMPV-ALCCZGGFSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134941850
(R)-N-[(E,1S)-1-cyclohexylhex-2-enyl]-2-methylpropane-2-sulfinamide
CID 135000883
N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide
CID 56839416
N-cyclooct-2-en-1-yl-4-methylcyclohexane-1-sulfonamide
CID 72415444
2-Amino-2-(4-propylcyclohex-2-en-1-yl)ethanesulfonic acid
CID 142982278
N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide
CID 61808806
N-(cyclohex-3-en-1-ylmethyl)propane-2-sulfonamide
CID 61808807
N-(cyclohex-3-en-1-ylmethyl)propane-1-sulfonamide
CID 61808808
N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfonamide
CID 101566531
N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide
CID 102107435
N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]propyl]-2-methylpropane-2-sulfinamide
CID 102473484
1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide
CID 115628719

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide?
The IUPAC name of N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide (CID 58760675) is N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide.
What is the SMILES notation for N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide?
The canonical SMILES for N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide is CC1CCC(S(=O)(=O)NC2/C=C\CCCCC2)CC1.
What is the InChIKey of N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide?
The InChIKey is BLGFOGBLSGEMPV-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-13-9-11-15(12-10-13)19(17,18)16-14-7-5-3-2-4-6-8-14/h5,7,13-16H,2-4,6,8-12H2,1H3/b7-5-.
What are the key properties of N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide?
N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide has a molecular weight of 285.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide is sourced from PubChem (CID 58760675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).