(Z)-3-benzylsulfinyl-N-propylprop-2-enamide

C13H17NO2S — CID 10332407

IUPAC(Z)-3-benzylsulfinyl-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C\S(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO2S/c1-2-9-14-13(15)8-10-17(16)11-12-6-4-3-5-7-12/h3-8,10H,2,9,11H2,1H3,(H,14,15)/b10-8-
InChIKeyRQYCHFHHQFPDCQ-NTMALXAHSA-N
MW251.35 g/mol
LogP1.98
Rot. Bonds6

About (Z)-3-benzylsulfinyl-N-propylprop-2-enamide

(Z)-3-benzylsulfinyl-N-propylprop-2-enamide (PubChem CID 10332407) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (Z)-3-benzylsulfinyl-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-benzylsulfinyl-N-propylprop-2-enamide
PubChem CID10332407
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(Z)-3-benzylsulfinyl-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C\S(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO2S/c1-2-9-14-13(15)8-10-17(16)11-12-6-4-3-5-7-12/h3-8,10H,2,9,11H2,1H3,(H,14,15)/b10-8-
InChIKeyRQYCHFHHQFPDCQ-NTMALXAHSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-propylbut-2-enamide
CID 154634438
(Z)-3-butylsulfinyl-N-propylprop-2-enamide
CID 5384056
[(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene
CID 134882097
7-phenyl-N-propylhepta-2,4-dienamide
CID 123644978
N-butyl-4-phenylbut-2-enamide
CID 154634439
(E,4S)-4-[[(2S)-2-aminopropanoyl]amino]-6-phenyl-N-propylhex-2-enamide
CID 50938680
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
1-[3-[[(S)-benzylsulfinyl]methyl]phenyl]-3-propylurea
CID 95629078
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
1-(2-benzylsulfinylethyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111763420
2-oxo-3-phenyl-N-propylpropanamide
CID 68696691

Frequently Asked Questions

What is the IUPAC name of (Z)-3-benzylsulfinyl-N-propylprop-2-enamide?
The IUPAC name of (Z)-3-benzylsulfinyl-N-propylprop-2-enamide (CID 10332407) is (Z)-3-benzylsulfinyl-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-3-benzylsulfinyl-N-propylprop-2-enamide?
The canonical SMILES for (Z)-3-benzylsulfinyl-N-propylprop-2-enamide is CCCNC(=O)/C=C\S(=O)Cc1ccccc1.
What is the InChIKey of (Z)-3-benzylsulfinyl-N-propylprop-2-enamide?
The InChIKey is RQYCHFHHQFPDCQ-NTMALXAHSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-9-14-13(15)8-10-17(16)11-12-6-4-3-5-7-12/h3-8,10H,2,9,11H2,1H3,(H,14,15)/b10-8-.
What are the key properties of (Z)-3-benzylsulfinyl-N-propylprop-2-enamide?
(Z)-3-benzylsulfinyl-N-propylprop-2-enamide has a molecular weight of 251.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-benzylsulfinyl-N-propylprop-2-enamide is sourced from PubChem (CID 10332407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).