N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride

C13H19ClN2OS2 — CID 119382886

IUPACN-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C13H18N2OS2.ClH/c14-6-7-15-12(16)10-2-4-11(5-3-10)13-17-8-1-9-18-13;/h2-5,13H,1,6-9,14H2,(H,15,16);1H
InChIKeyZVHFEKAYDGGIJV-UHFFFAOYSA-N
MW318.90 g/mol
LogP2.67
Rot. Bonds4

About N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride

N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride (PubChem CID 119382886) has the molecular formula C13H19ClN2OS2 and a molecular weight of 318.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride
PubChem CID119382886
Molecular FormulaC13H19ClN2OS2
Molecular Weight318.90 g/mol
Exact Mass318.06
IUPAC NameN-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C13H18N2OS2.ClH/c14-6-7-15-12(16)10-2-4-11(5-3-10)13-17-8-1-9-18-13;/h2-5,13H,1,6-9,14H2,(H,15,16);1H
InChIKeyZVHFEKAYDGGIJV-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.90
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-dithian-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119430624
N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dithian-2-yl)benzamide
CID 8743375
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
4-(1,3-dithian-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 8744638
4-(1,3-dithiolan-2-yl)-N-(2-methoxyethyl)benzamide
CID 18161968
N-[2-(aminomethyl)cyclohexyl]-4-(1,3-dithian-2-yl)benzamide;hydrochloride
CID 119610012
4-(1,3-dithiolan-2-yl)-N-(2-ethoxyethyl)benzamide
CID 86919802
4-(1,3-dithiolan-2-yl)-N-(2-phenylsulfanylethyl)benzamide
CID 9482965
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-(1,3-dithian-2-yl)benzamide
CID 24680771
[2-(2-methoxyethylamino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate
CID 8595187
3-[[4-(1,3-dithian-2-yl)benzoyl]amino]butanoic acid
CID 119347784
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride (CID 119382886) is N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride is Cl.NCCNC(=O)c1ccc(C2SCCCS2)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride?
The InChIKey is ZVHFEKAYDGGIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2.ClH/c14-6-7-15-12(16)10-2-4-11(5-3-10)13-17-8-1-9-18-13;/h2-5,13H,1,6-9,14H2,(H,15,16);1H.
What are the key properties of N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride?
N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride has a molecular weight of 318.90 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119382886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).