5-thiaspiro[2.5]octan-2-amine

C7H13NS — CID 55135236

IUPAC5-thiaspiro[2.5]octan-2-amine
SMILESNC1CC12CCCSC2
InChIInChI=1S/C7H13NS/c8-6-4-7(6)2-1-3-9-5-7/h6H,1-5,8H2
InChIKeySENTZGBCHKESEL-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.23
Rot. Bonds

About 5-thiaspiro[2.5]octan-2-amine

5-thiaspiro[2.5]octan-2-amine (PubChem CID 55135236) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-thiaspiro[2.5]octan-2-amine.

Molecular Properties

Compound Name5-thiaspiro[2.5]octan-2-amine
PubChem CID55135236
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-thiaspiro[2.5]octan-2-amine
SMILESNC1CC12CCCSC2
InChIInChI=1S/C7H13NS/c8-6-4-7(6)2-1-3-9-5-7/h6H,1-5,8H2
InChIKeySENTZGBCHKESEL-UHFFFAOYSA-N
XLogP1.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-thiaspiro[2.5]octan-2-amine?
The IUPAC name of 5-thiaspiro[2.5]octan-2-amine (CID 55135236) is 5-thiaspiro[2.5]octan-2-amine.
What is the SMILES notation for 5-thiaspiro[2.5]octan-2-amine?
The canonical SMILES for 5-thiaspiro[2.5]octan-2-amine is NC1CC12CCCSC2.
What is the InChIKey of 5-thiaspiro[2.5]octan-2-amine?
The InChIKey is SENTZGBCHKESEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c8-6-4-7(6)2-1-3-9-5-7/h6H,1-5,8H2.
What are the key properties of 5-thiaspiro[2.5]octan-2-amine?
5-thiaspiro[2.5]octan-2-amine has a molecular weight of 143.25 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiaspiro[2.5]octan-2-amine is sourced from PubChem (CID 55135236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).