(E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride

C10H19ClN2OS — CID 131242459

IUPAC(E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride
SMILESCS/C=C/C(=O)NC1(C)CCNCC1.Cl
InChIInChI=1S/C10H18N2OS.ClH/c1-10(4-6-11-7-5-10)12-9(13)3-8-14-2;/h3,8,11H,4-7H2,1-2H3,(H,12,13);1H/b8-3+;
InChIKeyFQJMAFCSUPXOON-DCDCITSCSA-N
MW250.79 g/mol
LogP1.54
Rot. Bonds3

About (E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride

(E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride (PubChem CID 131242459) has the molecular formula C10H19ClN2OS and a molecular weight of 250.79 g/mol. Its IUPAC name is (E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride
PubChem CID131242459
Molecular FormulaC10H19ClN2OS
Molecular Weight250.79 g/mol
Exact Mass250.09
IUPAC Name(E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride
SMILESCS/C=C/C(=O)NC1(C)CCNCC1.Cl
InChIInChI=1S/C10H18N2OS.ClH/c1-10(4-6-11-7-5-10)12-9(13)3-8-14-2;/h3,8,11H,4-7H2,1-2H3,(H,12,13);1H/b8-3+;
InChIKeyFQJMAFCSUPXOON-DCDCITSCSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.79
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride?
The IUPAC name of (E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride (CID 131242459) is (E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride.
What is the SMILES notation for (E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride?
The canonical SMILES for (E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride is CS/C=C/C(=O)NC1(C)CCNCC1.Cl.
What is the InChIKey of (E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride?
The InChIKey is FQJMAFCSUPXOON-DCDCITSCSA-N. The full InChI is InChI=1S/C10H18N2OS.ClH/c1-10(4-6-11-7-5-10)12-9(13)3-8-14-2;/h3,8,11H,4-7H2,1-2H3,(H,12,13);1H/b8-3+;.
What are the key properties of (E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride?
(E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride has a molecular weight of 250.79 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylpiperidin-4-yl)-3-methylsulfanylprop-2-enamide;hydrochloride is sourced from PubChem (CID 131242459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).