N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride

C16H24ClN3O3S — CID 119478134

IUPACN-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1
InChIInChI=1S/C16H23N3O3S.ClH/c17-13-5-7-14(8-6-13)18-16(20)12-3-1-4-15(11-12)19-9-2-10-23(19,21)22;/h1,3-4,11,13-14H,2,5-10,17H2,(H,18,20);1H
InChIKeyKLVCVSFRQXNOEE-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.65
Rot. Bonds3

About N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride

N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride (PubChem CID 119478134) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
PubChem CID119478134
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1
InChIInChI=1S/C16H23N3O3S.ClH/c17-13-5-7-14(8-6-13)18-16(20)12-3-1-4-15(11-12)19-9-2-10-23(19,21)22;/h1,3-4,11,13-14H,2,5-10,17H2,(H,18,20);1H
InChIKeyKLVCVSFRQXNOEE-UHFFFAOYSA-N
XLogP1.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119478135
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide
CID 119428215
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 71917502
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119591500
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537198
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558574
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119549268
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride (CID 119478134) is N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride is Cl.NC1CCC(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride?
The InChIKey is KLVCVSFRQXNOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c17-13-5-7-14(8-6-13)18-16(20)12-3-1-4-15(11-12)19-9-2-10-23(19,21)22;/h1,3-4,11,13-14H,2,5-10,17H2,(H,18,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119478134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).