N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide

C14H19NO3S — CID 77109067

IUPACN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide
SMILESCN(CC1CC(O)C1)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C14H19NO3S/c1-15(11-13-9-14(16)10-13)19(17,18)8-7-12-5-3-2-4-6-12/h2-8,13-14,16H,9-11H2,1H3
InChIKeyWRUDLXJOPCEIHO-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.69
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide

N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide (PubChem CID 77109067) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide
PubChem CID77109067
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide
SMILESCN(CC1CC(O)C1)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C14H19NO3S/c1-15(11-13-9-14(16)10-13)19(17,18)8-7-12-5-3-2-4-6-12/h2-8,13-14,16H,9-11H2,1H3
InChIKeyWRUDLXJOPCEIHO-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
CID 113285744
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958497
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
CID 106630787
(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 30328284
(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide
CID 98526139
N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9401678
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide
CID 9205651
N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 4885028
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 17466670
N-(4-ethoxyphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9400832

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide (CID 77109067) is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide is CN(CC1CC(O)C1)S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide?
The InChIKey is WRUDLXJOPCEIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-15(11-13-9-14(16)10-13)19(17,18)8-7-12-5-3-2-4-6-12/h2-8,13-14,16H,9-11H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide?
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide is sourced from PubChem (CID 77109067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).