2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one

C15H22N2O2S — CID 81190094

IUPAC2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(N)cc1S(=O)C(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O2S/c1-11-6-7-13(16)10-14(11)20(19)12(2)15(18)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,16H2,1-2H3
InChIKeySJIMWTUGJPREKC-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.09
Rot. Bonds3

About 2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one

2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one (PubChem CID 81190094) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one
PubChem CID81190094
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(N)cc1S(=O)C(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O2S/c1-11-6-7-13(16)10-14(11)20(19)12(2)15(18)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,16H2,1-2H3
InChIKeySJIMWTUGJPREKC-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methylphenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 81191900
2-(4-aminophenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 61368489
2-(2-amino-3-methylphenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 81187192
2-(3-aminophenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 81180737
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
CID 81192665
2-(2-amino-5-chlorophenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 81180589
2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 43305442
4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 106954912
5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 43379931
4-methyl-3-methylsulfinylaniline
CID 79006286
1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol
CID 107889569
1-(azepan-1-yl)-2-chloro-2-(2,5-dimethylphenyl)ethanone
CID 62224830

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one (CID 81190094) is 2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one is Cc1ccc(N)cc1S(=O)C(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is SJIMWTUGJPREKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-6-7-13(16)10-14(11)20(19)12(2)15(18)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,16H2,1-2H3.
What are the key properties of 2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one?
2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 294.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 81190094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).