N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide

C11H15NOS — CID 46907029

IUPACN-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide
SMILESCSc1ccc(CC(C)NC=O)cc1
InChIInChI=1S/C11H15NOS/c1-9(12-8-13)7-10-3-5-11(14-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,12,13)
InChIKeyPSGLTJGRSQLNST-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.09
Rot. Bonds5

About N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide

N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide (PubChem CID 46907029) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide
PubChem CID46907029
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide
SMILESCSc1ccc(CC(C)NC=O)cc1
InChIInChI=1S/C11H15NOS/c1-9(12-8-13)7-10-3-5-11(14-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,12,13)
InChIKeyPSGLTJGRSQLNST-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.09
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-methylsulfanylphenyl)propan-2-yl]formamide?
The IUPAC name of N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide (CID 46907029) is N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide.
What is the SMILES notation for N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide?
The canonical SMILES for N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide is CSc1ccc(CC(C)NC=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide?
The InChIKey is PSGLTJGRSQLNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9(12-8-13)7-10-3-5-11(14-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,12,13).
What are the key properties of N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide?
N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide has a molecular weight of 209.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfanylphenyl)propan-2-yl]formamide is sourced from PubChem (CID 46907029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).