9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C16H29ClN2O3S — CID 120984807

IUPAC9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CC2CCCC(C1)C2N)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C16H28N2O3S.ClH/c1-2-18(14-6-7-22(20,21)10-14)16(19)13-8-11-4-3-5-12(9-13)15(11)17;/h11-15H,2-10,17H2,1H3;1H
InChIKeyBRWRSVKXLFZLFF-UHFFFAOYSA-N
MW364.94 g/mol
LogP1.60
Rot. Bonds3

About 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120984807) has the molecular formula C16H29ClN2O3S and a molecular weight of 364.94 g/mol. Its IUPAC name is 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120984807
Molecular FormulaC16H29ClN2O3S
Molecular Weight364.94 g/mol
Exact Mass364.16
IUPAC Name9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CC2CCCC(C1)C2N)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C16H28N2O3S.ClH/c1-2-18(14-6-7-22(20,21)10-14)16(19)13-8-11-4-3-5-12(9-13)15(11)17;/h11-15H,2-10,17H2,1H3;1H
InChIKeyBRWRSVKXLFZLFF-UHFFFAOYSA-N
XLogP1.60
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989098
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145629
9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984755
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 125138754
ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxopiperidine-4-carboxamide
CID 110682084
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113181964
9-amino-N-(cyclopropylmethyl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989667
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005081
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120984807) is 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCN(C(=O)C1CC2CCCC(C1)C2N)C1CCS(=O)(=O)C1.Cl.
What is the InChIKey of 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is BRWRSVKXLFZLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S.ClH/c1-2-18(14-6-7-22(20,21)10-14)16(19)13-8-11-4-3-5-12(9-13)15(11)17;/h11-15H,2-10,17H2,1H3;1H.
What are the key properties of 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 364.94 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120984807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).