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

C15H27N3S — CID 103967711

IUPACN-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCN1CCCC(NC2=NCC3(CCCCC3)CS2)C1
InChIInChI=1S/C15H27N3S/c1-18-9-5-6-13(10-18)17-14-16-11-15(12-19-14)7-3-2-4-8-15/h13H,2-12H2,1H3,(H,16,17)
InChIKeyGCSSCLRZGYXXCF-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.72
Rot. Bonds1

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

N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967711) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967711
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCN1CCCC(NC2=NCC3(CCCCC3)CS2)C1
InChIInChI=1S/C15H27N3S/c1-18-9-5-6-13(10-18)17-14-16-11-15(12-19-14)7-3-2-4-8-15/h13H,2-12H2,1H3,(H,16,17)
InChIKeyGCSSCLRZGYXXCF-UHFFFAOYSA-N
XLogP2.72
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.72
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)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 64393346
N-(4,4-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65034894
5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036008
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)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81569211
N-(3,3-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81569287
1-N,1-N-dimethyl-2-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine
CID 82949668
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

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967711) is N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CN1CCCC(NC2=NCC3(CCCCC3)CS2)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is GCSSCLRZGYXXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-18-9-5-6-13(10-18)17-14-16-11-15(12-19-14)7-3-2-4-8-15/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 281.47 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).