N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

C15H28N2O2S — CID 56709211

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESO=S1(=O)CCC(CNC2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C15H28N2O2S/c18-20(19)10-3-13(12-20)11-17-14-1-4-15(5-2-14)6-8-16-9-7-15/h13-14,16-17H,1-12H2
InChIKeyMOUSMWMVMLMVGK-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.32
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56709211) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56709211
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESO=S1(=O)CCC(CNC2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C15H28N2O2S/c18-20(19)10-3-13(12-20)11-17-14-1-4-15(5-2-14)6-8-16-9-7-15/h13-14,16-17H,1-12H2
InChIKeyMOUSMWMVMLMVGK-UHFFFAOYSA-N
XLogP1.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (CID 56709211) is N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is O=S1(=O)CCC(CNC2CCC3(CCNCC3)CC2)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is MOUSMWMVMLMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c18-20(19)10-3-13(12-20)11-17-14-1-4-15(5-2-14)6-8-16-9-7-15/h13-14,16-17H,1-12H2.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 300.47 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56709211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).