N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

C14H24N2OS — CID 136730395

IUPACN-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC1C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C14H24N2OS/c1-11-3-2-4-12(11)9-15-13-16-14(10-18-13)5-7-17-8-6-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyZKKRKNVWTQWDMS-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.66
Rot. Bonds2

About N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136730395) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136730395
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC1C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C14H24N2OS/c1-11-3-2-4-12(11)9-15-13-16-14(10-18-13)5-7-17-8-6-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyZKKRKNVWTQWDMS-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine 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-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
7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136867434
N-[(1-methylpyrrolidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819525
N-[(1-methylpiperidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819605
8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136905813
N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819501
N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine
CID 136730454
7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998387
N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819447
N-(3-ethoxypropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819488
N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137003296

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136730395) is N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CC1CCCC1C/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is ZKKRKNVWTQWDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-3-2-4-12(11)9-15-13-16-14(10-18-13)5-7-17-8-6-14/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 268.43 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136730395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).