4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride

C19H23ClN2OS — CID 67252502

IUPAC4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride
SMILESCSc1ccc(C(=O)Nc2ccccc2[C@@H]2CCCNC2)cc1.Cl
InChIInChI=1S/C19H22N2OS.ClH/c1-23-16-10-8-14(9-11-16)19(22)21-18-7-3-2-6-17(18)15-5-4-12-20-13-15;/h2-3,6-11,15,20H,4-5,12-13H2,1H3,(H,21,22);1H/t15-;/m1./s1
InChIKeyIREJWMZVGKSOMS-XFULWGLBSA-N
MW362.93 g/mol
LogP4.55
Rot. Bonds4

About 4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride

4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride (PubChem CID 67252502) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride
PubChem CID67252502
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride
SMILESCSc1ccc(C(=O)Nc2ccccc2[C@@H]2CCCNC2)cc1.Cl
InChIInChI=1S/C19H22N2OS.ClH/c1-23-16-10-8-14(9-11-16)19(22)21-18-7-3-2-6-17(18)15-5-4-12-20-13-15;/h2-3,6-11,15,20H,4-5,12-13H2,1H3,(H,21,22);1H/t15-;/m1./s1
InChIKeyIREJWMZVGKSOMS-XFULWGLBSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of 4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride (CID 67252502) is 4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride is CSc1ccc(C(=O)Nc2ccccc2[C@@H]2CCCNC2)cc1.Cl.
What is the InChIKey of 4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride?
The InChIKey is IREJWMZVGKSOMS-XFULWGLBSA-N. The full InChI is InChI=1S/C19H22N2OS.ClH/c1-23-16-10-8-14(9-11-16)19(22)21-18-7-3-2-6-17(18)15-5-4-12-20-13-15;/h2-3,6-11,15,20H,4-5,12-13H2,1H3,(H,21,22);1H/t15-;/m1./s1.
What are the key properties of 4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride?
4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride has a molecular weight of 362.93 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 67252502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).