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

C14H26N2OS — CID 103967825

IUPACN-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCC(C)CNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-12(9-17-2)8-15-13-16-10-14(11-18-13)6-4-3-5-7-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyZLKCEYRJOXJMLV-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.91
Rot. Bonds4

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

N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967825) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967825
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCC(C)CNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-12(9-17-2)8-15-13-16-10-14(11-18-13)6-4-3-5-7-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyZLKCEYRJOXJMLV-UHFFFAOYSA-N
XLogP2.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,4-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65034894
N-(2,2-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79871978
N-(3,3-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81569287
N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82943872
N-(3-methyl-2-propan-2-ylbutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 102906886
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967825) is N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COCC(C)CNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is ZLKCEYRJOXJMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12(9-17-2)8-15-13-16-10-14(11-18-13)6-4-3-5-7-14/h12H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 270.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).