N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C15H26N2OS — CID 103967831

IUPACN-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOC1CCCC1NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H26N2OS/c1-18-13-7-5-6-12(13)17-14-16-10-15(11-19-14)8-3-2-4-9-15/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyAWAGTJWTZADPJM-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.20
Rot. Bonds2

About N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967831) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967831
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOC1CCCC1NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H26N2OS/c1-18-13-7-5-6-12(13)17-14-16-10-15(11-19-14)8-3-2-4-9-15/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyAWAGTJWTZADPJM-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

N-(2-methoxycyclopentyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62087196
N-(2-methoxycyclopentyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036621
N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82728644
N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 102699428
N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967571
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
N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967784
N-(oxan-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967891
N-(2-cyclopentyloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967899
N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967920
N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967921

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967831) is N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COC1CCCC1NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is AWAGTJWTZADPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-18-13-7-5-6-12(13)17-14-16-10-15(11-19-14)8-3-2-4-9-15/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2-methoxycyclopentyl)-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-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).