3-thiaspiro[5.5]undecan-9-amine

C10H19NS — CID 69312675

IUPAC3-thiaspiro[5.5]undecan-9-amine
SMILESNC1CCC2(CCSCC2)CC1
InChIInChI=1S/C10H19NS/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9H,1-8,11H2
InChIKeyRRYRUWWKNACXPC-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.40
Rot. Bonds

About 3-thiaspiro[5.5]undecan-9-amine

3-thiaspiro[5.5]undecan-9-amine (PubChem CID 69312675) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-thiaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound Name3-thiaspiro[5.5]undecan-9-amine
PubChem CID69312675
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-thiaspiro[5.5]undecan-9-amine
SMILESNC1CCC2(CCSCC2)CC1
InChIInChI=1S/C10H19NS/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9H,1-8,11H2
InChIKeyRRYRUWWKNACXPC-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiaspiro[5.5]undecan-9-amine?
The IUPAC name of 3-thiaspiro[5.5]undecan-9-amine (CID 69312675) is 3-thiaspiro[5.5]undecan-9-amine.
What is the SMILES notation for 3-thiaspiro[5.5]undecan-9-amine?
The canonical SMILES for 3-thiaspiro[5.5]undecan-9-amine is NC1CCC2(CCSCC2)CC1.
What is the InChIKey of 3-thiaspiro[5.5]undecan-9-amine?
The InChIKey is RRYRUWWKNACXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h9H,1-8,11H2.
What are the key properties of 3-thiaspiro[5.5]undecan-9-amine?
3-thiaspiro[5.5]undecan-9-amine has a molecular weight of 185.34 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 69312675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).