1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone

C15H22N2OS — CID 119491408

IUPAC1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone
SMILESCNC1CCCN(C(=O)C(SC)c2ccccc2)C1
InChIInChI=1S/C15H22N2OS/c1-16-13-9-6-10-17(11-13)15(18)14(19-2)12-7-4-3-5-8-12/h3-5,7-8,13-14,16H,6,9-11H2,1-2H3
InChIKeyNLAHNZXFVKIYEV-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.30
Rot. Bonds4

About 1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone

1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone (PubChem CID 119491408) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone
PubChem CID119491408
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone
SMILESCNC1CCCN(C(=O)C(SC)c2ccccc2)C1
InChIInChI=1S/C15H22N2OS/c1-16-13-9-6-10-17(11-13)15(18)14(19-2)12-7-4-3-5-8-12/h3-5,7-8,13-14,16H,6,9-11H2,1-2H3
InChIKeyNLAHNZXFVKIYEV-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119487480
(3R)-1-[(2S)-2-methylsulfanyl-2-phenylacetyl]pyrrolidine-3-carboxylic acid
CID 124610291
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-phenylsulfanylbutan-1-one;hydrochloride
CID 119490553
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
2-methyl-N-[(3R)-1-[(2S)-3-methylsulfanyl-2-phenylpropanoyl]piperidin-3-yl]propanamide
CID 97216590
N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119489297
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-methylsulfanyl-2-phenylethanone
CID 120817338
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119488269
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride
CID 119491118
[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119490722
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 119491726

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone (CID 119491408) is 1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone is CNC1CCCN(C(=O)C(SC)c2ccccc2)C1.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone?
The InChIKey is NLAHNZXFVKIYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-16-13-9-6-10-17(11-13)15(18)14(19-2)12-7-4-3-5-8-12/h3-5,7-8,13-14,16H,6,9-11H2,1-2H3.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone?
1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone has a molecular weight of 278.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone is sourced from PubChem (CID 119491408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).