[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride

C12H19ClN2OS2 — CID 119488013

IUPAC[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2sccc2SC)C1.Cl
InChIInChI=1S/C12H18N2OS2.ClH/c1-13-9-4-3-6-14(8-9)12(15)11-10(16-2)5-7-17-11;/h5,7,9,13H,3-4,6,8H2,1-2H3;1H
InChIKeyMIZHRJDDSJFVDT-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.72
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride (PubChem CID 119488013) has the molecular formula C12H19ClN2OS2 and a molecular weight of 306.88 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
PubChem CID119488013
Molecular FormulaC12H19ClN2OS2
Molecular Weight306.88 g/mol
Exact Mass306.06
IUPAC Name[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2sccc2SC)C1.Cl
InChIInChI=1S/C12H18N2OS2.ClH/c1-13-9-4-3-6-14(8-9)12(15)11-10(16-2)5-7-17-11;/h5,7,9,13H,3-4,6,8H2,1-2H3;1H
InChIKeyMIZHRJDDSJFVDT-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone
CID 119593061
N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 95615382
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448
[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488818
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300132
(3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119400398
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62536372
N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119619363
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119491725

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride (CID 119488013) is [3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride is CNC1CCCN(C(=O)c2sccc2SC)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride?
The InChIKey is MIZHRJDDSJFVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2.ClH/c1-13-9-4-3-6-14(8-9)12(15)11-10(16-2)5-7-17-11;/h5,7,9,13H,3-4,6,8H2,1-2H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119488013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).