(4-methylsulfanylpiperidin-1-yl)-phenylmethanone

C13H17NOS — CID 58285191

IUPAC(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
SMILESCSC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H17NOS/c1-16-12-7-9-14(10-8-12)13(15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyBZKMQKBLHREADY-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.65
Rot. Bonds2

About (4-methylsulfanylpiperidin-1-yl)-phenylmethanone

(4-methylsulfanylpiperidin-1-yl)-phenylmethanone (PubChem CID 58285191) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is (4-methylsulfanylpiperidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
PubChem CID58285191
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
SMILESCSC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H17NOS/c1-16-12-7-9-14(10-8-12)13(15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyBZKMQKBLHREADY-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(4-chlorophenyl)-[(3S)-3-methylsulfanylpyrrolidin-1-yl]methanone
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(4-fluorophenyl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 72717817
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2822452
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
2-(1-benzoylpiperidin-4-yl)propanamide
CID 70046438
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylpiperidin-1-yl)-phenylmethanone?
The IUPAC name of (4-methylsulfanylpiperidin-1-yl)-phenylmethanone (CID 58285191) is (4-methylsulfanylpiperidin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-methylsulfanylpiperidin-1-yl)-phenylmethanone?
The canonical SMILES for (4-methylsulfanylpiperidin-1-yl)-phenylmethanone is CSC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (4-methylsulfanylpiperidin-1-yl)-phenylmethanone?
The InChIKey is BZKMQKBLHREADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-16-12-7-9-14(10-8-12)13(15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of (4-methylsulfanylpiperidin-1-yl)-phenylmethanone?
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone has a molecular weight of 235.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylpiperidin-1-yl)-phenylmethanone is sourced from PubChem (CID 58285191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).