N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C13H24N2S — CID 103967544

IUPACN-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCC(C)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C13H24N2S/c1-3-11(2)15-12-14-9-13(10-16-12)7-5-4-6-8-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyYBEZBMNLTALHMR-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.43
Rot. Bonds2

About N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967544) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967544
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCC(C)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C13H24N2S/c1-3-11(2)15-12-14-9-13(10-16-12)7-5-4-6-8-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyYBEZBMNLTALHMR-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3792463
N1-(1,3-thiazolan-2-yliden)-3,3,5-trimethylcyclohexan-1-amine
CID 2731009
N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 5018374
5-methyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2999911
Ethyl-(1-thia-3-aza-spiro[5.5]undec-2-en-2-yl)-amine
CID 90671457
N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967598
N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967876
N-(2,2-difluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968008
N-(4,4,4-trifluorobutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968009
N-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
N-(4,4,4-trifluorobutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105943244
N-(2,2,3,3-tetrafluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 106294928

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967544) is N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CCC(C)NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is YBEZBMNLTALHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-11(2)15-12-14-9-13(10-16-12)7-5-4-6-8-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 240.42 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).