N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide

C10H12FNOS — CID 56850313

IUPACN-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide
SMILESCC(=O)N(C)CSc1cccc(F)c1
InChIInChI=1S/C10H12FNOS/c1-8(13)12(2)7-14-10-5-3-4-9(11)6-10/h3-6H,7H2,1-2H3
InChIKeyHITKRWVDBSFMHT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.35
Rot. Bonds3

About N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide

N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide (PubChem CID 56850313) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide
PubChem CID56850313
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC NameN-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide
SMILESCC(=O)N(C)CSc1cccc(F)c1
InChIInChI=1S/C10H12FNOS/c1-8(13)12(2)7-14-10-5-3-4-9(11)6-10/h3-6H,7H2,1-2H3
InChIKeyHITKRWVDBSFMHT-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide?
The IUPAC name of N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide (CID 56850313) is N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide.
What is the SMILES notation for N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide?
The canonical SMILES for N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide is CC(=O)N(C)CSc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide?
The InChIKey is HITKRWVDBSFMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-8(13)12(2)7-14-10-5-3-4-9(11)6-10/h3-6H,7H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide?
N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide has a molecular weight of 213.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)sulfanylmethyl]-N-methylacetamide is sourced from PubChem (CID 56850313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).