1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one

C14H18ClNOS — CID 62052545

IUPAC1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
SMILESCC(C(=O)c1cccc(Cl)c1)N(C)C1CCSC1
InChIInChI=1S/C14H18ClNOS/c1-10(16(2)13-6-7-18-9-13)14(17)11-4-3-5-12(15)8-11/h3-5,8,10,13H,6-7,9H2,1-2H3
InChIKeyVGIAHLHFWUQAOL-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.35
Rot. Bonds4

About 1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one

1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one (PubChem CID 62052545) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
PubChem CID62052545
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
SMILESCC(C(=O)c1cccc(Cl)c1)N(C)C1CCSC1
InChIInChI=1S/C14H18ClNOS/c1-10(16(2)13-6-7-18-9-13)14(17)11-4-3-5-12(15)8-11/h3-5,8,10,13H,6-7,9H2,1-2H3
InChIKeyVGIAHLHFWUQAOL-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62051389
1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62051971
1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63165105
(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 102183228
1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273630
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
2-[3-chloro-N-(thiolan-3-yl)anilino]acetic acid
CID 65058138
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
2-[methyl(thiolan-3-yl)amino]-2-phenylacetic acid
CID 43296865
3-iodo-N-methyl-N-(thiolan-3-yl)benzamide
CID 55137571

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one (CID 62052545) is 1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one is CC(C(=O)c1cccc(Cl)c1)N(C)C1CCSC1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
The InChIKey is VGIAHLHFWUQAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-10(16(2)13-6-7-18-9-13)14(17)11-4-3-5-12(15)8-11/h3-5,8,10,13H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one?
1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one has a molecular weight of 283.82 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one is sourced from PubChem (CID 62052545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).