3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide

C12H23N3O3S — CID 119760886

IUPAC3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCN2CCCS2(=O)=O)C1
InChIInChI=1S/C12H23N3O3S/c13-11-4-1-3-10(9-11)12(16)14-5-7-15-6-2-8-19(15,17)18/h10-11H,1-9,13H2,(H,14,16)
InChIKeyJRJSZHUNMFAOPN-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.34
Rot. Bonds4

About 3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119760886) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119760886
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCN2CCCS2(=O)=O)C1
InChIInChI=1S/C12H23N3O3S/c13-11-4-1-3-10(9-11)12(16)14-5-7-15-6-2-8-19(15,17)18/h10-11H,1-9,13H2,(H,14,16)
InChIKeyJRJSZHUNMFAOPN-UHFFFAOYSA-N
XLogP-0.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
CID 110720877
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119310346
3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119901784
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119786008
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
(3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94888300
3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
CID 119902026
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide (CID 119760886) is 3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCCN2CCCS2(=O)=O)C1.
What is the InChIKey of 3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is JRJSZHUNMFAOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c13-11-4-1-3-10(9-11)12(16)14-5-7-15-6-2-8-19(15,17)18/h10-11H,1-9,13H2,(H,14,16).
What are the key properties of 3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 289.40 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119760886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).