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

C15H28N2S — CID 103967670

IUPACN-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(C)CC(C)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H28N2S/c1-12(2)9-13(3)17-14-16-10-15(11-18-14)7-5-4-6-8-15/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyAINDTWHWYQWGFP-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.06
Rot. Bonds3

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

N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967670) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967670
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(C)CC(C)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H28N2S/c1-12(2)9-13(3)17-14-16-10-15(11-18-14)7-5-4-6-8-15/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyAINDTWHWYQWGFP-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967875
N-heptan-2-yl-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361327
N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361452
N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967942
N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967745
N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967744
N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide
CID 113294197
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114101129
2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine
CID 113294236
N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967537
N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361544

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967670) is N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC(C)CC(C)NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is AINDTWHWYQWGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-12(2)9-13(3)17-14-16-10-15(11-18-14)7-5-4-6-8-15/h12-13H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 268.47 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).