(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone

C12H16N2OS — CID 142545270

IUPAC(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
SMILESCSc1ccc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C12H16N2OS/c1-16-11-6-5-10(9-13-11)12(15)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyCUODEWZWOMZNTJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.43
Rot. Bonds2

About (6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone

(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone (PubChem CID 142545270) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
PubChem CID142545270
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
SMILESCSc1ccc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C12H16N2OS/c1-16-11-6-5-10(9-13-11)12(15)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyCUODEWZWOMZNTJ-UHFFFAOYSA-N
XLogP2.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
[6-[2-(4-fluorophenoxy)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 47021058
[6-[3-(4-methoxyphenoxy)propylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 55578558
[6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166239507
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one
CID 94797380
[6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 38081740
(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone
CID 46377940
[6-[2-(4-chlorophenoxy)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 55535867
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-methylsulfanyl-3-pyridinyl)methanone
CID 86885379
N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 71898976

Frequently Asked Questions

What is the IUPAC name of (6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone?
The IUPAC name of (6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone (CID 142545270) is (6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone is CSc1ccc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of (6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone?
The InChIKey is CUODEWZWOMZNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-16-11-6-5-10(9-13-11)12(15)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of (6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone?
(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone has a molecular weight of 236.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 142545270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).