N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C15H26N2OS — CID 103967680

IUPACN-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(NC1=NCC2(CCCCC2)CS1)C1CCCO1
InChIInChI=1S/C15H26N2OS/c1-12(13-6-5-9-18-13)17-14-16-10-15(11-19-14)7-3-2-4-8-15/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyHDCNWCGNHFYEMS-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.20
Rot. Bonds2

About N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967680) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967680
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(NC1=NCC2(CCCCC2)CS1)C1CCCO1
InChIInChI=1S/C15H26N2OS/c1-12(13-6-5-9-18-13)17-14-16-10-15(11-19-14)7-3-2-4-8-15/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyHDCNWCGNHFYEMS-UHFFFAOYSA-N
XLogP3.20
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534258
4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534262
N-[1-(oxolan-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43534263
4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61250765
5-methyl-N-[1-(oxolan-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035700
(4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246684
N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82728644
4-methyl-N-[1-(oxolan-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186709
N-(oxolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967640
N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967784
N-[2-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967793
N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967831

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967680) is N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC(NC1=NCC2(CCCCC2)CS1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is HDCNWCGNHFYEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-12(13-6-5-9-18-13)17-14-16-10-15(11-19-14)7-3-2-4-8-15/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 282.45 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).