N-(2-prop-2-enylsulfanylphenyl)formamide

C10H11NOS — CID 64992563

IUPACN-(2-prop-2-enylsulfanylphenyl)formamide
SMILESC=CCSc1ccccc1NC=O
InChIInChI=1S/C10H11NOS/c1-2-7-13-10-6-4-3-5-9(10)11-8-12/h2-6,8H,1,7H2,(H,11,12)
InChIKeyAOIUEJAYINLKKM-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.53
Rot. Bonds5

About N-(2-prop-2-enylsulfanylphenyl)formamide

N-(2-prop-2-enylsulfanylphenyl)formamide (PubChem CID 64992563) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylphenyl)formamide.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylphenyl)formamide
PubChem CID64992563
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC NameN-(2-prop-2-enylsulfanylphenyl)formamide
SMILESC=CCSc1ccccc1NC=O
InChIInChI=1S/C10H11NOS/c1-2-7-13-10-6-4-3-5-9(10)11-8-12/h2-6,8H,1,7H2,(H,11,12)
InChIKeyAOIUEJAYINLKKM-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylphenyl)formamide?
The IUPAC name of N-(2-prop-2-enylsulfanylphenyl)formamide (CID 64992563) is N-(2-prop-2-enylsulfanylphenyl)formamide.
What is the SMILES notation for N-(2-prop-2-enylsulfanylphenyl)formamide?
The canonical SMILES for N-(2-prop-2-enylsulfanylphenyl)formamide is C=CCSc1ccccc1NC=O.
What is the InChIKey of N-(2-prop-2-enylsulfanylphenyl)formamide?
The InChIKey is AOIUEJAYINLKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-7-13-10-6-4-3-5-9(10)11-8-12/h2-6,8H,1,7H2,(H,11,12).
What are the key properties of N-(2-prop-2-enylsulfanylphenyl)formamide?
N-(2-prop-2-enylsulfanylphenyl)formamide has a molecular weight of 193.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylphenyl)formamide is sourced from PubChem (CID 64992563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).