1-thiaspiro[5.5]undecan-4-amine

C10H19NS — CID 82405981

IUPAC1-thiaspiro[5.5]undecan-4-amine
SMILESNC1CCSC2(CCCCC2)C1
InChIInChI=1S/C10H19NS/c11-9-4-7-12-10(8-9)5-2-1-3-6-10/h9H,1-8,11H2
InChIKeyLOTKFAFECADUMR-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.54
Rot. Bonds

About 1-thiaspiro[5.5]undecan-4-amine

1-thiaspiro[5.5]undecan-4-amine (PubChem CID 82405981) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name1-thiaspiro[5.5]undecan-4-amine
PubChem CID82405981
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-thiaspiro[5.5]undecan-4-amine
SMILESNC1CCSC2(CCCCC2)C1
InChIInChI=1S/C10H19NS/c11-9-4-7-12-10(8-9)5-2-1-3-6-10/h9H,1-8,11H2
InChIKeyLOTKFAFECADUMR-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of 1-thiaspiro[5.5]undecan-4-amine (CID 82405981) is 1-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for 1-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for 1-thiaspiro[5.5]undecan-4-amine is NC1CCSC2(CCCCC2)C1.
What is the InChIKey of 1-thiaspiro[5.5]undecan-4-amine?
The InChIKey is LOTKFAFECADUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c11-9-4-7-12-10(8-9)5-2-1-3-6-10/h9H,1-8,11H2.
What are the key properties of 1-thiaspiro[5.5]undecan-4-amine?
1-thiaspiro[5.5]undecan-4-amine has a molecular weight of 185.34 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 82405981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).