(1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone

C15H26N2OS — CID 90615980

IUPAC(1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCSC1CC2CCC(C1)N2C(=O)C1CCN(C)CC1
InChIInChI=1S/C15H26N2OS/c1-16-7-5-11(6-8-16)15(18)17-12-3-4-13(17)10-14(9-12)19-2/h11-14H,3-10H2,1-2H3
InChIKeyXUSXONKDSZGQIU-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.21
Rot. Bonds2

About (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone

(1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 90615980) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID90615980
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name(1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCSC1CC2CCC(C1)N2C(=O)C1CCN(C)CC1
InChIInChI=1S/C15H26N2OS/c1-16-7-5-11(6-8-16)15(18)17-12-3-4-13(17)10-14(9-12)19-2/h11-14H,3-10H2,1-2H3
InChIKeyXUSXONKDSZGQIU-UHFFFAOYSA-N
XLogP2.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(1-methylpiperidin-4-yl)methanone
CID 122255361
3-methoxy-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 90615984
2-cyclohexyl-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90616040
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 90427686
(4-methoxyphenyl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90615848
(2-bromophenyl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90616060
(5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90615841
(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclobutyl]methanone
CID 129269840

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 90615980) is (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone is CSC1CC2CCC(C1)N2C(=O)C1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is XUSXONKDSZGQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-16-7-5-11(6-8-16)15(18)17-12-3-4-13(17)10-14(9-12)19-2/h11-14H,3-10H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 282.45 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 90615980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).