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

C12H20N2OS — CID 136819509

IUPACN-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC(/N=C1/NC2(CCOCC2)CS1)C1CC1
InChIInChI=1S/C12H20N2OS/c1-9(10-2-3-10)13-11-14-12(8-16-11)4-6-15-7-5-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyUTYHPULWCZTDBE-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.03
Rot. Bonds2

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

N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136819509) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136819509
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC(/N=C1/NC2(CCOCC2)CS1)C1CC1
InChIInChI=1S/C12H20N2OS/c1-9(10-2-3-10)13-11-14-12(8-16-11)4-6-15-7-5-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyUTYHPULWCZTDBE-UHFFFAOYSA-N
XLogP2.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-cyclopropylethyl)-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-(1-cyclopropylbutan-2-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819704
N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819447
methyl 2-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanoate
CID 137003252
N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819571
N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819558
N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819626
N-[1-(2,4-dichlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819437
N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine
CID 136730454
N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984868
4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine
CID 136757451
N-(4-propan-2-yloxybutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730458
N-[3-(2-methylpropoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730403

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136819509) is N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CC(/N=C1/NC2(CCOCC2)CS1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is UTYHPULWCZTDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(10-2-3-10)13-11-14-12(8-16-11)4-6-15-7-5-12/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 240.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136819509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).