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

C10H19NO2S — CID 5384056

IUPAC(Z)-3-butylsulfinyl-N-propylprop-2-enamide
SMILESCCCCS(=O)/C=C\C(=O)NCCC
InChIInChI=1S/C10H19NO2S/c1-3-5-8-14(13)9-6-10(12)11-7-4-2/h6,9H,3-5,7-8H2,1-2H3,(H,11,12)/b9-6-
InChIKeyUFPXHDDGYGEXEZ-TWGQIWQCSA-N
MW217.33 g/mol
LogP1.58
Rot. Bonds7

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

(Z)-3-butylsulfinyl-N-propylprop-2-enamide (PubChem CID 5384056) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (Z)-3-butylsulfinyl-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-butylsulfinyl-N-propylprop-2-enamide
PubChem CID5384056
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(Z)-3-butylsulfinyl-N-propylprop-2-enamide
SMILESCCCCS(=O)/C=C\C(=O)NCCC
InChIInChI=1S/C10H19NO2S/c1-3-5-8-14(13)9-6-10(12)11-7-4-2/h6,9H,3-5,7-8H2,1-2H3,(H,11,12)/b9-6-
InChIKeyUFPXHDDGYGEXEZ-TWGQIWQCSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.58
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

(Z)-3-benzylsulfinyl-N-propylprop-2-enamide
CID 10332407
3-decylsulfinylprop-2-enamide
CID 59733781
N-propylhex-2-enamide
CID 88538823
(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 101160253
(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927
methyl N-[4-oxo-4-(propylamino)but-2-enoyl]carbamate
CID 58159323
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
N'-hexylbut-2-enediamide
CID 154301502
(Z)-N'-decylbut-2-enediamide
CID 87339219
N-hexyl-4-iminopent-2-enamide
CID 123662070
(E)-N-butyldec-2-enamide
CID 160628271

Frequently Asked Questions

What is the IUPAC name of (Z)-3-butylsulfinyl-N-propylprop-2-enamide?
The IUPAC name of (Z)-3-butylsulfinyl-N-propylprop-2-enamide (CID 5384056) is (Z)-3-butylsulfinyl-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-3-butylsulfinyl-N-propylprop-2-enamide?
The canonical SMILES for (Z)-3-butylsulfinyl-N-propylprop-2-enamide is CCCCS(=O)/C=C\C(=O)NCCC.
What is the InChIKey of (Z)-3-butylsulfinyl-N-propylprop-2-enamide?
The InChIKey is UFPXHDDGYGEXEZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-5-8-14(13)9-6-10(12)11-7-4-2/h6,9H,3-5,7-8H2,1-2H3,(H,11,12)/b9-6-.
What are the key properties of (Z)-3-butylsulfinyl-N-propylprop-2-enamide?
(Z)-3-butylsulfinyl-N-propylprop-2-enamide has a molecular weight of 217.33 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-butylsulfinyl-N-propylprop-2-enamide is sourced from PubChem (CID 5384056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).