N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide

C15H19NOS — CID 176695906

IUPACN-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide
SMILESC=CSC(=C(C)C)c1ccc(C(C)NC=O)cc1
InChIInChI=1S/C15H19NOS/c1-5-18-15(11(2)3)14-8-6-13(7-9-14)12(4)16-10-17/h5-10,12H,1H2,2-4H3,(H,16,17)
InChIKeyZEVOYAPAHPWUQD-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.12
Rot. Bonds6

About N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide

N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide (PubChem CID 176695906) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide
PubChem CID176695906
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide
SMILESC=CSC(=C(C)C)c1ccc(C(C)NC=O)cc1
InChIInChI=1S/C15H19NOS/c1-5-18-15(11(2)3)14-8-6-13(7-9-14)12(4)16-10-17/h5-10,12H,1H2,2-4H3,(H,16,17)
InChIKeyZEVOYAPAHPWUQD-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide?
The IUPAC name of N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide (CID 176695906) is N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide.
What is the SMILES notation for N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide?
The canonical SMILES for N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide is C=CSC(=C(C)C)c1ccc(C(C)NC=O)cc1.
What is the InChIKey of N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide?
The InChIKey is ZEVOYAPAHPWUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-5-18-15(11(2)3)14-8-6-13(7-9-14)12(4)16-10-17/h5-10,12H,1H2,2-4H3,(H,16,17).
What are the key properties of N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide?
N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide has a molecular weight of 261.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-ethenylsulfanyl-2-methylprop-1-enyl)phenyl]ethyl]formamide is sourced from PubChem (CID 176695906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).