N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C11H18N2OS — CID 106299045

IUPACN-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1(NC2=NC3(CCOCC3)CS2)CC1
InChIInChI=1S/C11H18N2OS/c1-10(2-3-10)12-9-13-11(8-15-9)4-6-14-7-5-11/h2-8H2,1H3,(H,12,13)
InChIKeyLVQGLVMHPYONJM-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.78
Rot. Bonds1

About N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106299045) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106299045
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1(NC2=NC3(CCOCC3)CS2)CC1
InChIInChI=1S/C11H18N2OS/c1-10(2-3-10)12-9-13-11(8-15-9)4-6-14-7-5-11/h2-8H2,1H3,(H,12,13)
InChIKeyLVQGLVMHPYONJM-UHFFFAOYSA-N
XLogP1.78
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106299045) is N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is CC1(NC2=NC3(CCOCC3)CS2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is LVQGLVMHPYONJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-10(2-3-10)12-9-13-11(8-15-9)4-6-14-7-5-11/h2-8H2,1H3,(H,12,13).
What are the key properties of N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 226.34 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106299045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).