N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine

C14H26N2O2S — CID 79614981

IUPACN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CCC1CC2CCC(C1)N2)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O2S/c1-16(14-5-7-19(17,18)10-14)6-4-11-8-12-2-3-13(9-11)15-12/h11-15H,2-10H2,1H3
InChIKeyASCBCYKKGNVQGT-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.03
Rot. Bonds4

About N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 79614981) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID79614981
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CCC1CC2CCC(C1)N2)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O2S/c1-16(14-5-7-19(17,18)10-14)6-4-11-8-12-2-3-13(9-11)15-12/h11-15H,2-10H2,1H3
InChIKeyASCBCYKKGNVQGT-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyloxolan-3-amine
CID 82739082
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-methylethanamine
CID 79615266
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 61232030
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopropanamine
CID 79615192
N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63628945
N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine
CID 81080824
1-(4-bromophenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]butan-1-one
CID 43229286
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62561588
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 79614981) is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(CCC1CC2CCC(C1)N2)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is ASCBCYKKGNVQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-16(14-5-7-19(17,18)10-14)6-4-11-8-12-2-3-13(9-11)15-12/h11-15H,2-10H2,1H3.
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 286.44 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 79614981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).