[3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine

C15H28N2S — CID 63156792

IUPAC[3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine
SMILESNCC1(N2CCC3(CCCC3)CC2)CCCSC1
InChIInChI=1S/C15H28N2S/c16-12-15(6-3-11-18-13-15)17-9-7-14(8-10-17)4-1-2-5-14/h1-13,16H2
InChIKeyOSIOUHQNAVSTFD-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.87
Rot. Bonds2

About [3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine

[3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine (PubChem CID 63156792) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is [3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine
PubChem CID63156792
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name[3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine
SMILESNCC1(N2CCC3(CCCC3)CC2)CCCSC1
InChIInChI=1S/C15H28N2S/c16-12-15(6-3-11-18-13-15)17-9-7-14(8-10-17)4-1-2-5-14/h1-13,16H2
InChIKeyOSIOUHQNAVSTFD-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 62986373
[3-(azepan-1-yl)thiolan-3-yl]methanamine
CID 24710395
[3-(4-ethylpiperidin-1-yl)thian-3-yl]methanamine
CID 62872027
[3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine
CID 62871130
[3-(4-pyrimidin-2-ylpiperazin-1-yl)thian-3-yl]methanamine
CID 62872191
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
[3-[4-(4-chlorophenyl)piperazin-1-yl]thian-3-yl]methanamine
CID 62872918
[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 55165075
[3-(3,4-dimethoxypyrrolidin-1-yl)thian-3-yl]methanamine
CID 103531803
[3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923648
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304

Frequently Asked Questions

What is the IUPAC name of [3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine?
The IUPAC name of [3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine (CID 63156792) is [3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine.
What is the SMILES notation for [3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine?
The canonical SMILES for [3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine is NCC1(N2CCC3(CCCC3)CC2)CCCSC1.
What is the InChIKey of [3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine?
The InChIKey is OSIOUHQNAVSTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c16-12-15(6-3-11-18-13-15)17-9-7-14(8-10-17)4-1-2-5-14/h1-13,16H2.
What are the key properties of [3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine?
[3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine has a molecular weight of 268.47 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine is sourced from PubChem (CID 63156792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).