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

C16H23N3O3S — CID 119478135

IUPACN-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESNC1CCC(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1
InChIInChI=1S/C16H23N3O3S/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)
InChIKeySIEMAYYMJSNYRP-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.23
Rot. Bonds3

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

N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 119478135) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID119478135
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC NameN-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESNC1CCC(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1
InChIInChI=1S/C16H23N3O3S/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)
InChIKeySIEMAYYMJSNYRP-UHFFFAOYSA-N
XLogP1.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.23
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;hydrochloride
CID 119478134
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide
CID 119428215
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 71917502
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119591500
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
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
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119463641
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 119478135) is N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is 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?
The InChIKey is SIEMAYYMJSNYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/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).
What are the key properties of N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 337.44 g/mol, XLogP of 1.23, 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 is sourced from PubChem (CID 119478135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).