N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine

C15H26N2S — CID 135998342

IUPACN-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1(C/N=C2/NC3(CCCCC3)CS2)CCCC1
InChIInChI=1S/C15H26N2S/c1-14(7-5-6-8-14)11-16-13-17-15(12-18-13)9-3-2-4-10-15/h2-12H2,1H3,(H,16,17)
InChIKeyAGWDUIKAAZHSMY-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.96
Rot. Bonds2

About N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine

N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 135998342) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID135998342
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1(C/N=C2/NC3(CCCCC3)CS2)CCCC1
InChIInChI=1S/C15H26N2S/c1-14(7-5-6-8-14)11-16-13-17-15(12-18-13)9-3-2-4-10-15/h2-12H2,1H3,(H,16,17)
InChIKeyAGWDUIKAAZHSMY-UHFFFAOYSA-N
XLogP3.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136850069
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
4-ethyl-4-methyl-N-[(1-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136757430
N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136817020
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136817724
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
CID 136817713
N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723647
N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136998917
N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977299
N-(3-methylpentan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977178
N-propan-2-yl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136713451

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine (CID 135998342) is N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine is CC1(C/N=C2/NC3(CCCCC3)CS2)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is AGWDUIKAAZHSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-14(7-5-6-8-14)11-16-13-17-15(12-18-13)9-3-2-4-10-15/h2-12H2,1H3,(H,16,17).
What are the key properties of N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 266.45 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 135998342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).