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

C17H31N3S — CID 103967811

IUPACN-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(CNC1=NCC2(CCCCC2)CS1)N1CCCCC1
InChIInChI=1S/C17H31N3S/c1-15(20-10-6-3-7-11-20)12-18-16-19-13-17(14-21-16)8-4-2-5-9-17/h15H,2-14H2,1H3,(H,18,19)
InChIKeySYQIRNHBWNFNOT-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.50
Rot. Bonds3

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

N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967811) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967811
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(CNC1=NCC2(CCCCC2)CS1)N1CCCCC1
InChIInChI=1S/C17H31N3S/c1-15(20-10-6-3-7-11-20)12-18-16-19-13-17(14-21-16)8-4-2-5-9-17/h15H,2-14H2,1H3,(H,18,19)
InChIKeySYQIRNHBWNFNOT-UHFFFAOYSA-N
XLogP3.50
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 64393153
N-(4,4-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65034894
N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79870111
N-(2,2-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79871978
N-(3,3-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81568762
N-(3,3-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81569287
N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967531
N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967537
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-propan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967541
N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967544
N-pentan-3-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967547

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967811) is N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC(CNC1=NCC2(CCCCC2)CS1)N1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is SYQIRNHBWNFNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-15(20-10-6-3-7-11-20)12-18-16-19-13-17(14-21-16)8-4-2-5-9-17/h15H,2-14H2,1H3,(H,18,19).
What are the key properties of N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 309.52 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).