N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride

C17H21ClN2OS2 — CID 119426390

IUPACN-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1ccccc1SCc1cccs1
InChIInChI=1S/C17H20N2OS2.ClH/c20-17(19-13-5-3-9-18-11-13)15-7-1-2-8-16(15)22-12-14-6-4-10-21-14;/h1-2,4,6-8,10,13,18H,3,5,9,11-12H2,(H,19,20);1H
InChIKeyAOTYAAZKNCYLSV-UHFFFAOYSA-N
MW368.96 g/mol
LogP3.94
Rot. Bonds5

About N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride

N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride (PubChem CID 119426390) has the molecular formula C17H21ClN2OS2 and a molecular weight of 368.96 g/mol. Its IUPAC name is N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
PubChem CID119426390
Molecular FormulaC17H21ClN2OS2
Molecular Weight368.96 g/mol
Exact Mass368.08
IUPAC NameN-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1ccccc1SCc1cccs1
InChIInChI=1S/C17H20N2OS2.ClH/c20-17(19-13-5-3-9-18-11-13)15-7-1-2-8-16(15)22-12-14-6-4-10-21-14;/h1-2,4,6-8,10,13,18H,3,5,9,11-12H2,(H,19,20);1H
InChIKeyAOTYAAZKNCYLSV-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.96
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide
CID 119427657
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450087
1,4-diazepan-1-yl-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 119416113
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide
CID 119450088
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 97079831
N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119454255
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride (CID 119426390) is N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1ccccc1SCc1cccs1.
What is the InChIKey of N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride?
The InChIKey is AOTYAAZKNCYLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS2.ClH/c20-17(19-13-5-3-9-18-11-13)15-7-1-2-8-16(15)22-12-14-6-4-10-21-14;/h1-2,4,6-8,10,13,18H,3,5,9,11-12H2,(H,19,20);1H.
What are the key properties of N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride?
N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride has a molecular weight of 368.96 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride is sourced from PubChem (CID 119426390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).