4-thiatricyclo[4.2.1.03,7]nonan-2-amine

C8H13NS — CID 12792732

IUPAC4-thiatricyclo[4.2.1.03,7]nonan-2-amine
SMILESNC1C2CC3CSC1C3C2
InChIInChI=1S/C8H13NS/c9-7-4-1-5-3-10-8(7)6(5)2-4/h4-8H,1-3,9H2
InChIKeyTXMGLTDFAJJLEC-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.09
Rot. Bonds

About 4-thiatricyclo[4.2.1.03,7]nonan-2-amine

4-thiatricyclo[4.2.1.03,7]nonan-2-amine (PubChem CID 12792732) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-thiatricyclo[4.2.1.03,7]nonan-2-amine.

Molecular Properties

Compound Name4-thiatricyclo[4.2.1.03,7]nonan-2-amine
PubChem CID12792732
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-thiatricyclo[4.2.1.03,7]nonan-2-amine
SMILESNC1C2CC3CSC1C3C2
InChIInChI=1S/C8H13NS/c9-7-4-1-5-3-10-8(7)6(5)2-4/h4-8H,1-3,9H2
InChIKeyTXMGLTDFAJJLEC-UHFFFAOYSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3S,6R,7S)-4-thiatricyclo[4.2.1.03,7]nonan-2-amine
CID 98093555
(3R)-tricyclo[2.2.1.02,6]heptan-3-amine
CID 101101886
adamantane-2,4-diamine
CID 12813520
4-oxatricyclo[4.2.1.03,7]nonan-2-amine
CID 12850951
hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecan-10-amine
CID 134863739
4-oxatricyclo[4.2.1.03,7]nonan-2-amine;hydrochloride
CID 134691146
tricyclo[4.2.1.12,4]decan-5-amine
CID 123976925
(1R,2R,4S,5S,6R)-3-thiatricyclo[3.2.1.02,4]octan-6-amine
CID 55283865
tricyclo[5.3.1.03,9]undecan-2-amine
CID 89166001
3-amino-6-methylbicyclo[2.2.1]heptan-2-ol
CID 20804981
3-propan-2-ylbicyclo[3.1.1]heptan-6-amine
CID 158321353
bicyclo[2.2.1]heptane-2,5-diamine
CID 4169642

Frequently Asked Questions

What is the IUPAC name of 4-thiatricyclo[4.2.1.03,7]nonan-2-amine?
The IUPAC name of 4-thiatricyclo[4.2.1.03,7]nonan-2-amine (CID 12792732) is 4-thiatricyclo[4.2.1.03,7]nonan-2-amine.
What is the SMILES notation for 4-thiatricyclo[4.2.1.03,7]nonan-2-amine?
The canonical SMILES for 4-thiatricyclo[4.2.1.03,7]nonan-2-amine is NC1C2CC3CSC1C3C2.
What is the InChIKey of 4-thiatricyclo[4.2.1.03,7]nonan-2-amine?
The InChIKey is TXMGLTDFAJJLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c9-7-4-1-5-3-10-8(7)6(5)2-4/h4-8H,1-3,9H2.
What are the key properties of 4-thiatricyclo[4.2.1.03,7]nonan-2-amine?
4-thiatricyclo[4.2.1.03,7]nonan-2-amine has a molecular weight of 155.27 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiatricyclo[4.2.1.03,7]nonan-2-amine is sourced from PubChem (CID 12792732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).