N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C13H22N2OS — CID 82728644

IUPACN-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCC1OCCC1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C13H22N2OS/c1-10-11(4-7-16-10)15-12-14-8-13(9-17-12)5-2-3-6-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyYNXOJDGOVYHWNA-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.42
Rot. Bonds1

About N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 82728644) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID82728644
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCC1OCCC1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C13H22N2OS/c1-10-11(4-7-16-10)15-12-14-8-13(9-17-12)5-2-3-6-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyYNXOJDGOVYHWNA-UHFFFAOYSA-N
XLogP2.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61250765
4-(2-methylpropyl)-N-(oxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 80713779
5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 82727872
(4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 82727988
5-methyl-N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 82728097
5,5-dimethyl-N-(2-methyloxolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 82728746
N-(2-methyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 82729287
N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82943872
N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 83028670
N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 102699428
N-(oxolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967640
N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967680

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 82728644) is N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is CC1OCCC1NC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is YNXOJDGOVYHWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-11(4-7-16-10)15-12-14-8-13(9-17-12)5-2-3-6-13/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 254.40 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 82728644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).