1-(methylamino)-1-phenylsulfanylpropan-2-one

C10H13NOS — CID 142012924

IUPAC1-(methylamino)-1-phenylsulfanylpropan-2-one
SMILESCNC(Sc1ccccc1)C(C)=O
InChIInChI=1S/C10H13NOS/c1-8(12)10(11-2)13-9-6-4-3-5-7-9/h3-7,10-11H,1-2H3
InChIKeyZKUYJUWQZGWTAA-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.91
Rot. Bonds4

About 1-(methylamino)-1-phenylsulfanylpropan-2-one

1-(methylamino)-1-phenylsulfanylpropan-2-one (PubChem CID 142012924) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-(methylamino)-1-phenylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(methylamino)-1-phenylsulfanylpropan-2-one
PubChem CID142012924
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-(methylamino)-1-phenylsulfanylpropan-2-one
SMILESCNC(Sc1ccccc1)C(C)=O
InChIInChI=1S/C10H13NOS/c1-8(12)10(11-2)13-9-6-4-3-5-7-9/h3-7,10-11H,1-2H3
InChIKeyZKUYJUWQZGWTAA-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(methylamino)-1-phenylsulfanylpropan-2-one?
The IUPAC name of 1-(methylamino)-1-phenylsulfanylpropan-2-one (CID 142012924) is 1-(methylamino)-1-phenylsulfanylpropan-2-one.
What is the SMILES notation for 1-(methylamino)-1-phenylsulfanylpropan-2-one?
The canonical SMILES for 1-(methylamino)-1-phenylsulfanylpropan-2-one is CNC(Sc1ccccc1)C(C)=O.
What is the InChIKey of 1-(methylamino)-1-phenylsulfanylpropan-2-one?
The InChIKey is ZKUYJUWQZGWTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8(12)10(11-2)13-9-6-4-3-5-7-9/h3-7,10-11H,1-2H3.
What are the key properties of 1-(methylamino)-1-phenylsulfanylpropan-2-one?
1-(methylamino)-1-phenylsulfanylpropan-2-one has a molecular weight of 195.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-phenylsulfanylpropan-2-one is sourced from PubChem (CID 142012924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).