(6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol

C11H19NS — CID 71650240

IUPAC(6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol
SMILESSCC1CC2(CCN(C3CC3)C2)C1
InChIInChI=1S/C11H19NS/c13-7-9-5-11(6-9)3-4-12(8-11)10-1-2-10/h9-10,13H,1-8H2
InChIKeyWCNSZTACBIXOCC-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.18
Rot. Bonds2

About (6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol

(6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol (PubChem CID 71650240) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is (6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol.

Molecular Properties

Compound Name(6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol
PubChem CID71650240
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol
SMILESSCC1CC2(CCN(C3CC3)C2)C1
InChIInChI=1S/C11H19NS/c13-7-9-5-11(6-9)3-4-12(8-11)10-1-2-10/h9-10,13H,1-8H2
InChIKeyWCNSZTACBIXOCC-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol?
The IUPAC name of (6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol (CID 71650240) is (6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol.
What is the SMILES notation for (6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol?
The canonical SMILES for (6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol is SCC1CC2(CCN(C3CC3)C2)C1.
What is the InChIKey of (6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol?
The InChIKey is WCNSZTACBIXOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c13-7-9-5-11(6-9)3-4-12(8-11)10-1-2-10/h9-10,13H,1-8H2.
What are the key properties of (6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol?
(6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol has a molecular weight of 197.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanethiol is sourced from PubChem (CID 71650240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).