[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

C15H22N2OS — CID 124575021

IUPAC[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2ccc(CSC)cc2)C1
InChIInChI=1S/C15H22N2OS/c1-16-14-4-3-9-17(10-14)15(18)13-7-5-12(6-8-13)11-19-2/h5-8,14,16H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyUMGIDIFEHRPNGG-CQSZACIVSA-N
MW278.42 g/mol
LogP2.37
Rot. Bonds4

About [(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone (PubChem CID 124575021) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is [(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
PubChem CID124575021
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2ccc(CSC)cc2)C1
InChIInChI=1S/C15H22N2OS/c1-16-14-4-3-9-17(10-14)15(18)13-7-5-12(6-8-13)11-19-2/h5-8,14,16H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyUMGIDIFEHRPNGG-CQSZACIVSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491620
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 125146017
[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 119491013
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 25401110
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 119491018
[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119492407

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone?
The IUPAC name of [(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone (CID 124575021) is [(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone is CN[C@@H]1CCCN(C(=O)c2ccc(CSC)cc2)C1.
What is the InChIKey of [(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone?
The InChIKey is UMGIDIFEHRPNGG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-16-14-4-3-9-17(10-14)15(18)13-7-5-12(6-8-13)11-19-2/h5-8,14,16H,3-4,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone?
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone has a molecular weight of 278.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 124575021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).