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

C14H18ClNOS — CID 785177

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H18ClNOS/c1-11(14(17)16-9-3-2-4-10-16)18-13-7-5-12(15)6-8-13/h5-8,11H,2-4,9-10H2,1H3/t11-/m1/s1
InChIKeyDXVULXUMOULTCU-LLVKDONJSA-N
MW283.82 g/mol
LogP3.83
Rot. Bonds3

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

(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one (PubChem CID 785177) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
PubChem CID785177
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H18ClNOS/c1-11(14(17)16-9-3-2-4-10-16)18-13-7-5-12(15)6-8-13/h5-8,11H,2-4,9-10H2,1H3/t11-/m1/s1
InChIKeyDXVULXUMOULTCU-LLVKDONJSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(azepan-1-yl)-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 92662148
(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 39074926
(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 10668383
1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 3859595
2-(4-chlorophenyl)sulfanyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 55378447
(2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one
CID 125142459
N-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 27387195
ethyl 4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazine-1-carboxylate
CID 132899265
2-(4-amino-3-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79149876
2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 132760012
2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfanylphenyl]acetic acid
CID 64929530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one (CID 785177) is (2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one is C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCCC1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is DXVULXUMOULTCU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-11(14(17)16-9-3-2-4-10-16)18-13-7-5-12(15)6-8-13/h5-8,11H,2-4,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 283.82 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 785177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).