N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C18H26N2S — CID 103967875

IUPACN-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(Cc1ccccc1)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C18H26N2S/c1-15(12-16-8-4-2-5-9-16)20-17-19-13-18(14-21-17)10-6-3-7-11-18/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3,(H,19,20)
InChIKeyNZBRLAZWLLUCGA-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.26
Rot. Bonds3

About N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967875) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967875
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(Cc1ccccc1)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C18H26N2S/c1-15(12-16-8-4-2-5-9-16)20-17-19-13-18(14-21-17)10-6-3-7-11-18/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3,(H,19,20)
InChIKeyNZBRLAZWLLUCGA-UHFFFAOYSA-N
XLogP4.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-2-yl-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361327
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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-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967942
N,N-dimethyl-2-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)propanamide
CID 113294197
N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967529
N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361550
N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967585
N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361425
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-(1-phenylpropan-2-yl)spiro[4.5]decan-8-amine
CID 114817644

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967875) is N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC(Cc1ccccc1)NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is NZBRLAZWLLUCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-15(12-16-8-4-2-5-9-16)20-17-19-13-18(14-21-17)10-6-3-7-11-18/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3,(H,19,20).
What are the key properties of N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 302.49 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).