N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine

C9H15NS — CID 550870

IUPACN-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine
SMILESCNC1CCC2C=CCC1S2
InChIInChI=1S/C9H15NS/c1-10-8-6-5-7-3-2-4-9(8)11-7/h2-3,7-10H,4-6H2,1H3
InChIKeySKOPHWDBEDXHOK-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.80
Rot. Bonds1

About N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine

N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine (PubChem CID 550870) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine.

Molecular Properties

Compound NameN-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine
PubChem CID550870
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine
SMILESCNC1CCC2C=CCC1S2
InChIInChI=1S/C9H15NS/c1-10-8-6-5-7-3-2-4-9(8)11-7/h2-3,7-10H,4-6H2,1H3
InChIKeySKOPHWDBEDXHOK-UHFFFAOYSA-N
XLogP1.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-Thiabicyclo[3.3.1]non-2-en-6-amine, 9,9-dioxo-N-methyl-
CID 546439
9-Thiabicyclo[3.3.1]non-6-EN-2-amine
CID 12319830
9-Thiabicyclo[3.3.1]non-6-en-2-amine, N-methyl-, 9-oxide, (endo,syn)-
CID 546568
6-Methyl-2,3,4,4a,5,8,9,9a-octahydrocyclohepta[b][1,4]thiazine
CID 91482375
6-(Cyclohexen-1-ylsulfanylmethyl)piperidine-2-carbothialdehyde
CID 124009240
N-methyl-2-methylsulfanylcyclohex-3-en-1-amine
CID 138552861
2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine
CID 163888073
(7E)-2-(2-aminopropyl)-N,9-dimethyl-3,4,5,6,9,10-hexahydro-2H-thiecin-5-amine
CID 170361702
(1R,2R,5R)-9-thiabicyclo[3.3.1]non-6-en-2-amine
CID 12319831
(1R,2R,5R)-N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine
CID 12319832
(1R,2R,5R)-N-methyl-9-oxo-9lambda4-thiabicyclo[3.3.1]non-6-en-2-amine
CID 12319846
N-[2-(Cyclohex-1-en-1-yl)ethyl]thian-4-amine
CID 43394905

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine?
The IUPAC name of N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine (CID 550870) is N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine.
What is the SMILES notation for N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine?
The canonical SMILES for N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine is CNC1CCC2C=CCC1S2.
What is the InChIKey of N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine?
The InChIKey is SKOPHWDBEDXHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-10-8-6-5-7-3-2-4-9(8)11-7/h2-3,7-10H,4-6H2,1H3.
What are the key properties of N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine?
N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine has a molecular weight of 169.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-thiabicyclo[3.3.1]non-6-en-2-amine is sourced from PubChem (CID 550870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).