2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid

C6H10N2OS — CID 170787306

IUPAC2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid
SMILESO=C(S)N1CC2(CNC2)C1
InChIInChI=1S/C6H10N2OS/c9-5(10)8-3-6(4-8)1-7-2-6/h7H,1-4H2,(H,9,10)
InChIKeyGMRBDYOPZIZMPV-UHFFFAOYSA-N
MW158.23 g/mol
LogP-0.06
Rot. Bonds

About 2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid

2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid (PubChem CID 170787306) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid.

Molecular Properties

Compound Name2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid
PubChem CID170787306
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid
SMILESO=C(S)N1CC2(CNC2)C1
InChIInChI=1S/C6H10N2OS/c9-5(10)8-3-6(4-8)1-7-2-6/h7H,1-4H2,(H,9,10)
InChIKeyGMRBDYOPZIZMPV-UHFFFAOYSA-N
XLogP-0.06
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 142542161
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone
CID 170787296
piperazine-1-carbothioic S-acid
CID 22219896
1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane
CID 176701757
2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425
CID 169105005
CID 169105005
2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 175741537
2-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-enal
CID 176910983
2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 146272884
(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 99185249
2,6-diazaspiro[3.3]heptan-2-yl-(6-fluoro-5-methyl-2-pyridinyl)methanone;ethane
CID 176955179

Frequently Asked Questions

What is the IUPAC name of 2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid?
The IUPAC name of 2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid (CID 170787306) is 2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid.
What is the SMILES notation for 2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid?
The canonical SMILES for 2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid is O=C(S)N1CC2(CNC2)C1.
What is the InChIKey of 2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid?
The InChIKey is GMRBDYOPZIZMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c9-5(10)8-3-6(4-8)1-7-2-6/h7H,1-4H2,(H,9,10).
What are the key properties of 2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid?
2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid has a molecular weight of 158.23 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid is sourced from PubChem (CID 170787306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).