N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine

C14H24N2S — CID 136998917

IUPACN-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESCC1CCCC1C/N=C1/NC2(CCCC2)CS1
InChIInChI=1S/C14H24N2S/c1-11-5-4-6-12(11)9-15-13-16-14(10-17-13)7-2-3-8-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyJBMSPHIJQUERCH-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.43
Rot. Bonds2

About N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine

N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine (PubChem CID 136998917) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
PubChem CID136998917
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESCC1CCCC1C/N=C1/NC2(CCCC2)CS1
InChIInChI=1S/C14H24N2S/c1-11-5-4-6-12(11)9-15-13-16-14(10-17-13)7-2-3-8-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyJBMSPHIJQUERCH-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.43
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-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977299
N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730395
7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136867434
8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136905813
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998387
N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 136867439
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
CID 136817713
N-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136938506
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136817724
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136850069

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine (CID 136998917) is N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine is CC1CCCC1C/N=C1/NC2(CCCC2)CS1.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The InChIKey is JBMSPHIJQUERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-5-4-6-12(11)9-15-13-16-14(10-17-13)7-2-3-8-14/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine has a molecular weight of 252.43 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine is sourced from PubChem (CID 136998917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).