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

C12H20N2S — CID 115361544

IUPACN-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCC1CC1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C12H20N2S/c1-9-6-10(9)14-11-13-7-12(8-15-11)4-2-3-5-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyAIESGPLPKKTPIP-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.65
Rot. Bonds1

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

N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 115361544) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID115361544
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCC1CC1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C12H20N2S/c1-9-6-10(9)14-11-13-7-12(8-15-11)4-2-3-5-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyAIESGPLPKKTPIP-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3792463
N1-(1,3-thiazolan-2-yliden)-3,3,5-trimethylcyclohexan-1-amine
CID 2731009
5-methyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2999911
N-(4,4,4-trifluorobutan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 105943254
N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 130504493
N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 57162043
N-butan-2-yl-1-thia-3-azaspiro[4.4]non-2-en-2-amine
CID 67280734
N-(2,2,3,3-tetramethylcyclopropyl)-1-thia-3-azaspiro[4.4]non-2-en-2-amine
CID 69503171
N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine
CID 136628223
(5S)-5-[(2R)-butan-2-yl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 146787000
(5S)-5-methyl-N-[(1S,2S)-2-methylcyclohexyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2363377
N-[(1R,2S)-2-methylcyclohexyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2376060

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 115361544) is N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is CC1CC1NC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is AIESGPLPKKTPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-6-10(9)14-11-13-7-12(8-15-11)4-2-3-5-12/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 224.37 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 115361544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).