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

C15H21NOS — CID 39074926

IUPAC(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(S[C@H](C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H21NOS/c1-12-6-8-14(9-7-12)18-13(2)15(17)16-10-4-3-5-11-16/h6-9,13H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyJZYJFCGZBNJLGJ-CYBMUJFWSA-N
MW263.41 g/mol
LogP3.49
Rot. Bonds3

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

(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one (PubChem CID 39074926) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
PubChem CID39074926
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(S[C@H](C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H21NOS/c1-12-6-8-14(9-7-12)18-13(2)15(17)16-10-4-3-5-11-16/h6-9,13H,3-5,10-11H2,1-2H3/t13-/m1/s1
InChIKeyJZYJFCGZBNJLGJ-CYBMUJFWSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one with MolForge

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Related Compounds

2-(4-methylphenyl)sulfanyl-1-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 131929591
(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
(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 848339
(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
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
2-(4-amino-3-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79147877
(2R)-2-(4-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9427598
2-(4-amino-3-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79149876

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one (CID 39074926) is (2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one is Cc1ccc(S[C@H](C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is JZYJFCGZBNJLGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12-6-8-14(9-7-12)18-13(2)15(17)16-10-4-3-5-11-16/h6-9,13H,3-5,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one?
(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 263.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 39074926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).