N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide

C18H33NO2S — CID 102388638

IUPACN-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide
SMILESC=CCC[C@]1(NS(=O)(=O)C(C)(C)C)CCCC=C1CCCC
InChIInChI=1S/C18H33NO2S/c1-6-8-12-16-13-10-11-15-18(16,14-9-7-2)19-22(20,21)17(3,4)5/h7,13,19H,2,6,8-12,14-15H2,1,3-5H3/t18-/m0/s1
InChIKeyWGYOFGHSVXDDKI-SFHVURJKSA-N
MW327.53 g/mol
LogP4.71
Rot. Bonds8

About N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide

N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide (PubChem CID 102388638) has the molecular formula C18H33NO2S and a molecular weight of 327.53 g/mol. Its IUPAC name is N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide
PubChem CID102388638
Molecular FormulaC18H33NO2S
Molecular Weight327.53 g/mol
Exact Mass327.22
IUPAC NameN-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide
SMILESC=CCC[C@]1(NS(=O)(=O)C(C)(C)C)CCCC=C1CCCC
InChIInChI=1S/C18H33NO2S/c1-6-8-12-16-13-10-11-15-18(16,14-9-7-2)19-22(20,21)17(3,4)5/h7,13,19H,2,6,8-12,14-15H2,1,3-5H3/t18-/m0/s1
InChIKeyWGYOFGHSVXDDKI-SFHVURJKSA-N
XLogP4.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.53
LogP ≤ 54.71
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-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide (CID 102388638) is N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide is C=CCC[C@]1(NS(=O)(=O)C(C)(C)C)CCCC=C1CCCC.
What is the InChIKey of N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is WGYOFGHSVXDDKI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H33NO2S/c1-6-8-12-16-13-10-11-15-18(16,14-9-7-2)19-22(20,21)17(3,4)5/h7,13,19H,2,6,8-12,14-15H2,1,3-5H3/t18-/m0/s1.
What are the key properties of N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide?
N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 327.53 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-but-3-enyl-2-butylcyclohex-2-en-1-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 102388638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).