1-(2-methylpiperidin-1-yl)-2-sulfanylethanone

C8H15NOS — CID 60650037

IUPAC1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
SMILESCC1CCCCN1C(=O)CS
InChIInChI=1S/C8H15NOS/c1-7-4-2-3-5-9(7)8(10)6-11/h7,11H,2-6H2,1H3
InChIKeyCBMDJIJFULQFDM-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.32
Rot. Bonds1

About 1-(2-methylpiperidin-1-yl)-2-sulfanylethanone

1-(2-methylpiperidin-1-yl)-2-sulfanylethanone (PubChem CID 60650037) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-sulfanylethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
PubChem CID60650037
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
SMILESCC1CCCCN1C(=O)CS
InChIInChI=1S/C8H15NOS/c1-7-4-2-3-5-9(7)8(10)6-11/h7,11H,2-6H2,1H3
InChIKeyCBMDJIJFULQFDM-UHFFFAOYSA-N
XLogP1.32
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
chloromethyl (2R)-2-methylpiperidine-1-carboxylate
CID 89037261

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-sulfanylethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-sulfanylethanone (CID 60650037) is 1-(2-methylpiperidin-1-yl)-2-sulfanylethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-sulfanylethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-sulfanylethanone is CC1CCCCN1C(=O)CS.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-sulfanylethanone?
The InChIKey is CBMDJIJFULQFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-7-4-2-3-5-9(7)8(10)6-11/h7,11H,2-6H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-sulfanylethanone?
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone has a molecular weight of 173.28 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-sulfanylethanone is sourced from PubChem (CID 60650037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).