[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone

C15H26N2O2S — CID 120795280

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCSC3(CCCCC3)C2)O1
InChIInChI=1S/C15H26N2O2S/c16-10-12-4-5-13(19-12)14(18)17-8-9-20-15(11-17)6-2-1-3-7-15/h12-13H,1-11,16H2/t12-,13+/m1/s1
InChIKeyRXMWWPCVFFXXNS-OLZOCXBDSA-N
MW298.45 g/mol
LogP1.77
Rot. Bonds2

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone (PubChem CID 120795280) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
PubChem CID120795280
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCSC3(CCCCC3)C2)O1
InChIInChI=1S/C15H26N2O2S/c16-10-12-4-5-13(19-12)14(18)17-8-9-20-15(11-17)6-2-1-3-7-15/h12-13H,1-11,16H2/t12-,13+/m1/s1
InChIKeyRXMWWPCVFFXXNS-OLZOCXBDSA-N
XLogP1.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone with MolForge

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Related Compounds

Oxolan-2-yl(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 71976199
[5-(Aminomethyl)oxolan-2-yl]-thiomorpholin-4-ylmethanone
CID 80002878
[5-(Aminomethyl)oxolan-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 80009095
[5-(Aminomethyl)oxolan-2-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 80012073
[5-(Aminomethyl)oxolan-2-yl]-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 80012807
5-(aminomethyl)-N-(thian-2-ylmethyl)oxolane-2-carboxamide
CID 80600982
5-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxolane-2-carboxamide
CID 80736785
1-(5-Methyloxolane-2-carbonyl)-4-methylsulfanylpiperidine-4-carbothioamide
CID 81330046
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)oxolane-2-carboxamide
CID 105816576
5-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]oxolane-2-carboxamide
CID 105817953
5-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)oxolane-2-carboxamide
CID 106325306
[5-(Aminomethyl)oxolan-2-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107454533

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone (CID 120795280) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone is NC[C@H]1CC[C@@H](C(=O)N2CCSC3(CCCCC3)C2)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is RXMWWPCVFFXXNS-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26N2O2S/c16-10-12-4-5-13(19-12)14(18)17-8-9-20-15(11-17)6-2-1-3-7-15/h12-13H,1-11,16H2/t12-,13+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 298.45 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 120795280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).