N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C16H30N2O2S — CID 63924083

IUPACN-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NC1CCCS(=O)(=O)C1
InChIInChI=1S/C16H30N2O2S/c1-12(2)18-9-13-5-3-6-14(10-18)16(13)17-15-7-4-8-21(19,20)11-15/h12-17H,3-11H2,1-2H3
InChIKeyRORYMUNFNGCGAJ-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.66
Rot. Bonds3

About N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 63924083) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID63924083
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC NameN-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NC1CCCS(=O)(=O)C1
InChIInChI=1S/C16H30N2O2S/c1-12(2)18-9-13-5-3-6-14(10-18)16(13)17-15-7-4-8-21(19,20)11-15/h12-17H,3-11H2,1-2H3
InChIKeyRORYMUNFNGCGAJ-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine with MolForge

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Related Compounds

N-(2-adamantyl)-1,1-dioxothian-3-amine
CID 63921811
N-(3,4-dimethylcyclohexyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 64740285
N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241963
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one
CID 106252950
N-[(1R)-1-cyclopentylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 81394236
1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine
CID 63924783
4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83202160
1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine
CID 63921831
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 80716268
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 63924083) is N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is RORYMUNFNGCGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-12(2)18-9-13-5-3-6-14(10-18)16(13)17-15-7-4-8-21(19,20)11-15/h12-17H,3-11H2,1-2H3.
What are the key properties of N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 314.50 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 63924083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).