5-thiaspiro[2.4]heptan-2-ylmethanamine

C7H13NS — CID 62704560

IUPAC5-thiaspiro[2.4]heptan-2-ylmethanamine
SMILESNCC1CC12CCSC2
InChIInChI=1S/C7H13NS/c8-4-6-3-7(6)1-2-9-5-7/h6H,1-5,8H2
InChIKeyJTACUCOIBLKRTD-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.09
Rot. Bonds1

About 5-thiaspiro[2.4]heptan-2-ylmethanamine

5-thiaspiro[2.4]heptan-2-ylmethanamine (PubChem CID 62704560) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-thiaspiro[2.4]heptan-2-ylmethanamine.

Molecular Properties

Compound Name5-thiaspiro[2.4]heptan-2-ylmethanamine
PubChem CID62704560
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-thiaspiro[2.4]heptan-2-ylmethanamine
SMILESNCC1CC12CCSC2
InChIInChI=1S/C7H13NS/c8-4-6-3-7(6)1-2-9-5-7/h6H,1-5,8H2
InChIKeyJTACUCOIBLKRTD-UHFFFAOYSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-thiaspiro[2.6]nonan-2-ylmethanamine
CID 83827269
9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine
CID 82405263
[(2R)-spiro[2.4]heptan-2-yl]methanamine
CID 94557824
5-thiaspiro[2.5]octan-2-amine
CID 55135236
5-thiaspiro[2.5]octan-8-amine
CID 82417837
[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine
CID 124508591
(6-propan-2-ylspiro[2.5]octan-2-yl)methanamine
CID 62707779
(5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine
CID 84651273
(7-methoxyspiro[2.5]octan-2-yl)methanamine
CID 106874327
(5-methoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824122
[7-(2-methylpropyl)spiro[2.5]octan-2-yl]methanamine
CID 107430357
spiro[1,3-dihydroindene-2,2'-cyclopropane]-1'-ylmethanamine
CID 62708148

Frequently Asked Questions

What is the IUPAC name of 5-thiaspiro[2.4]heptan-2-ylmethanamine?
The IUPAC name of 5-thiaspiro[2.4]heptan-2-ylmethanamine (CID 62704560) is 5-thiaspiro[2.4]heptan-2-ylmethanamine.
What is the SMILES notation for 5-thiaspiro[2.4]heptan-2-ylmethanamine?
The canonical SMILES for 5-thiaspiro[2.4]heptan-2-ylmethanamine is NCC1CC12CCSC2.
What is the InChIKey of 5-thiaspiro[2.4]heptan-2-ylmethanamine?
The InChIKey is JTACUCOIBLKRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c8-4-6-3-7(6)1-2-9-5-7/h6H,1-5,8H2.
What are the key properties of 5-thiaspiro[2.4]heptan-2-ylmethanamine?
5-thiaspiro[2.4]heptan-2-ylmethanamine has a molecular weight of 143.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiaspiro[2.4]heptan-2-ylmethanamine is sourced from PubChem (CID 62704560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).