2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one

C14H19ClN2OS — CID 43305442

IUPAC2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
SMILESCC(Sc1ccc(N)cc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C14H19ClN2OS/c1-10(14(18)17-7-3-2-4-8-17)19-13-6-5-11(16)9-12(13)15/h5-6,9-10H,2-4,7-8,16H2,1H3
InChIKeyOTEIWCJHXCRRKA-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.42
Rot. Bonds3

About 2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one

2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one (PubChem CID 43305442) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
PubChem CID43305442
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
SMILESCC(Sc1ccc(N)cc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C14H19ClN2OS/c1-10(14(18)17-7-3-2-4-8-17)19-13-6-5-11(16)9-12(13)15/h5-6,9-10H,2-4,7-8,16H2,1H3
InChIKeyOTEIWCJHXCRRKA-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.42
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-(2-amino-4-chlorophenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 43117482
2-(4-amino-3-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79149876
2-(2-amino-4-fluorophenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 43304287
2-(2-amino-5-fluorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79148707
2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 43305454
2-(2-amino-5-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 79144117
2-(2-amino-5-methoxyphenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 79515202
(2S)-1-(azepan-1-yl)-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 92662148
(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 785177
2-(2-chlorophenyl)sulfanyl-1-(1,4-diazepan-1-yl)propan-1-one
CID 119417993
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 119376277
2-(4-amino-3-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79147877

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one (CID 43305442) is 2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one is CC(Sc1ccc(N)cc1Cl)C(=O)N1CCCCC1.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is OTEIWCJHXCRRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-10(14(18)17-7-3-2-4-8-17)19-13-6-5-11(16)9-12(13)15/h5-6,9-10H,2-4,7-8,16H2,1H3.
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 298.84 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43305442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).