N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide

C16H25NO2S — CID 44592829

IUPACN-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide
SMILESCCC/C=C(\CCC)[C@@H](NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C16H25NO2S/c1-4-6-11-14(10-5-2)16(17-20(3,18)19)15-12-8-7-9-13-15/h7-9,11-13,16-17H,4-6,10H2,1-3H3/b14-11+/t16-/m1/s1
InChIKeyASJJDGLPWMMDDJ-WSYSLRRZSA-N
MW295.45 g/mol
LogP3.80
Rot. Bonds8

About N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide

N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide (PubChem CID 44592829) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide
PubChem CID44592829
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide
SMILESCCC/C=C(\CCC)[C@@H](NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C16H25NO2S/c1-4-6-11-14(10-5-2)16(17-20(3,18)19)15-12-8-7-9-13-15/h7-9,11-13,16-17H,4-6,10H2,1-3H3/b14-11+/t16-/m1/s1
InChIKeyASJJDGLPWMMDDJ-WSYSLRRZSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.80
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

N-Phenethylmethanesulfonamide
CID 118569
4-(Aminomethyl)benzenemethanesulfonamide
CID 9167228
N-benzylmethanesulfonamide
CID 235490
N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
(+/-) Propane-2-sulfonic acid (2-phenyl-cyclopentyl)-amide
CID 10199241
N-(3-phenylpropyl)methanesulfonamide
CID 1744854
N-(1-Phenylethyl)methanesulfonamide
CID 380740
N-(2-(4-fluorophenyl)ethyl)methanesulfonamide
CID 1530178
1-(2-(aminomethyl)phenyl)-N-methylmethanesulfonamide
CID 9106618
1-Phenylhexan-1-amine
CID 44818
N-benzyl-1,1,1-trifluoromethanesulphonamide
CID 118985

Frequently Asked Questions

What is the IUPAC name of N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide?
The IUPAC name of N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide (CID 44592829) is N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide.
What is the SMILES notation for N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide?
The canonical SMILES for N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide is CCC/C=C(\CCC)[C@@H](NS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide?
The InChIKey is ASJJDGLPWMMDDJ-WSYSLRRZSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-4-6-11-14(10-5-2)16(17-20(3,18)19)15-12-8-7-9-13-15/h7-9,11-13,16-17H,4-6,10H2,1-3H3/b14-11+/t16-/m1/s1.
What are the key properties of N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide?
N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide has a molecular weight of 295.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide is sourced from PubChem (CID 44592829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).