N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide

C14H24N2O3S — CID 104520644

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
SMILESCN(C(=O)C1CCCCS1(=O)=O)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N2O3S/c1-16(12-8-10-5-6-11(9-12)15-10)14(17)13-4-2-3-7-20(13,18)19/h10-13,15H,2-9H2,1H3
InChIKeyJVRDLXGGJDGVIW-UHFFFAOYSA-N
MW300.42 g/mol
LogP0.70
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide (PubChem CID 104520644) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
PubChem CID104520644
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
SMILESCN(C(=O)C1CCCCS1(=O)=O)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N2O3S/c1-16(12-8-10-5-6-11(9-12)15-10)14(17)13-4-2-3-7-20(13,18)19/h10-13,15H,2-9H2,1H3
InChIKeyJVRDLXGGJDGVIW-UHFFFAOYSA-N
XLogP0.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide 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

N-(1,1-dioxothiolan-3-yl)-2-piperidin-2-ylacetamide
CID 43151243
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-piperidin-2-ylethanone
CID 43581857
N-(1,1-dioxothian-4-yl)-2-piperidin-2-ylacetamide
CID 43615348
N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-2-carboxamide
CID 43648729
7-amino-N-(1,1-dioxothiolan-3-yl)-N-methylheptanamide
CID 43648740
N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide
CID 43648894
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 43648898
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 55151479
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide
CID 55210098
1-[4-[(1,1-Dioxothiolan-3-yl)amino]piperidin-1-yl]octan-1-one
CID 56806884
7-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylheptanamide
CID 60938632
N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
CID 60939349

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide (CID 104520644) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide is CN(C(=O)C1CCCCS1(=O)=O)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide?
The InChIKey is JVRDLXGGJDGVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-16(12-8-10-5-6-11(9-12)15-10)14(17)13-4-2-3-7-20(13,18)19/h10-13,15H,2-9H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide has a molecular weight of 300.42 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104520644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).