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

C12H22N2OS — CID 102699428

IUPACN-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCOC(C)CNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C12H22N2OS/c1-10(15-2)7-13-11-14-8-12(9-16-11)5-3-4-6-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyWIABQWAFZKKTBW-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.27
Rot. Bonds3

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

N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 102699428) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID102699428
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCOC(C)CNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C12H22N2OS/c1-10(15-2)7-13-11-14-8-12(9-16-11)5-3-4-6-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyWIABQWAFZKKTBW-UHFFFAOYSA-N
XLogP2.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 114128337
N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361647
N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82728644
N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82943872
N-(2-methoxypropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 102699406
5-cyclopropyl-N-(2-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 102699412
N-(2-methoxypropyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 102699415
N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N-(2-methoxycyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967831
N-(2-cyclopentyloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967899
N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 104763254
N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 104763265

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 102699428) is N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is COC(C)CNC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is WIABQWAFZKKTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10(15-2)7-13-11-14-8-12(9-16-11)5-3-4-6-12/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 242.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 102699428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).