N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C13H24N2OS — CID 103967659

IUPACN-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C13H24N2OS/c1-16-9-5-8-14-12-15-10-13(11-17-12)6-3-2-4-7-13/h2-11H2,1H3,(H,14,15)
InChIKeyYHYBUZVUFNYLAK-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.67
Rot. Bonds4

About N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967659) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967659
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C13H24N2OS/c1-16-9-5-8-14-12-15-10-13(11-17-12)6-3-2-4-7-13/h2-11H2,1H3,(H,14,15)
InChIKeyYHYBUZVUFNYLAK-UHFFFAOYSA-N
XLogP2.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 64393153
N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79870111
N-(3,3-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81568762
N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82943872
N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967531
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967544
N-(2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967546
N-pentan-3-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967547
N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967550
N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967564

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967659) is N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COCCCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is YHYBUZVUFNYLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-16-9-5-8-14-12-15-10-13(11-17-12)6-3-2-4-7-13/h2-11H2,1H3,(H,14,15).
What are the key properties of N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 256.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).