(3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C10H18N2O2S — CID 104931208

IUPAC(3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCC1CNCCC12N[C@H](C(=O)O)CS2
InChIInChI=1S/C10H18N2O2S/c1-2-7-5-11-4-3-10(7)12-8(6-15-10)9(13)14/h7-8,11-12H,2-6H2,1H3,(H,13,14)/t7?,8-,10?/m0/s1
InChIKeyQZESZYMHKHAKQL-ZCUBBSJVSA-N
MW230.33 g/mol
LogP0.49
Rot. Bonds2

About (3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 104931208) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID104931208
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCC1CNCCC12N[C@H](C(=O)O)CS2
InChIInChI=1S/C10H18N2O2S/c1-2-7-5-11-4-3-10(7)12-8(6-15-10)9(13)14/h7-8,11-12H,2-6H2,1H3,(H,13,14)/t7?,8-,10?/m0/s1
InChIKeyQZESZYMHKHAKQL-ZCUBBSJVSA-N
XLogP0.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 104931208) is (3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid is CCC1CNCCC12N[C@H](C(=O)O)CS2.
What is the InChIKey of (3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is QZESZYMHKHAKQL-ZCUBBSJVSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-7-5-11-4-3-10(7)12-8(6-15-10)9(13)14/h7-8,11-12H,2-6H2,1H3,(H,13,14)/t7?,8-,10?/m0/s1.
What are the key properties of (3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 230.33 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 104931208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).