(Z)-N-propyl-3-propylsulfinylprop-2-enamide

C9H17NO2S — CID 5384055

IUPAC(Z)-N-propyl-3-propylsulfinylprop-2-enamide
SMILESCCCNC(=O)/C=C\S(=O)CCC
InChIInChI=1S/C9H17NO2S/c1-3-6-10-9(11)5-8-13(12)7-4-2/h5,8H,3-4,6-7H2,1-2H3,(H,10,11)/b8-5-
InChIKeyBTLXFVFEAVOTOA-YVMONPNESA-N
MW203.31 g/mol
LogP1.18
Rot. Bonds6

About (Z)-N-propyl-3-propylsulfinylprop-2-enamide

(Z)-N-propyl-3-propylsulfinylprop-2-enamide (PubChem CID 5384055) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (Z)-N-propyl-3-propylsulfinylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-propyl-3-propylsulfinylprop-2-enamide
PubChem CID5384055
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(Z)-N-propyl-3-propylsulfinylprop-2-enamide
SMILESCCCNC(=O)/C=C\S(=O)CCC
InChIInChI=1S/C9H17NO2S/c1-3-6-10-9(11)5-8-13(12)7-4-2/h5,8H,3-4,6-7H2,1-2H3,(H,10,11)/b8-5-
InChIKeyBTLXFVFEAVOTOA-YVMONPNESA-N
XLogP1.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-propyl-3-propylsulfinylprop-2-enamide?
The IUPAC name of (Z)-N-propyl-3-propylsulfinylprop-2-enamide (CID 5384055) is (Z)-N-propyl-3-propylsulfinylprop-2-enamide.
What is the SMILES notation for (Z)-N-propyl-3-propylsulfinylprop-2-enamide?
The canonical SMILES for (Z)-N-propyl-3-propylsulfinylprop-2-enamide is CCCNC(=O)/C=C\S(=O)CCC.
What is the InChIKey of (Z)-N-propyl-3-propylsulfinylprop-2-enamide?
The InChIKey is BTLXFVFEAVOTOA-YVMONPNESA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-6-10-9(11)5-8-13(12)7-4-2/h5,8H,3-4,6-7H2,1-2H3,(H,10,11)/b8-5-.
What are the key properties of (Z)-N-propyl-3-propylsulfinylprop-2-enamide?
(Z)-N-propyl-3-propylsulfinylprop-2-enamide has a molecular weight of 203.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propyl-3-propylsulfinylprop-2-enamide is sourced from PubChem (CID 5384055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).