[3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine

C15H28N2O2S — CID 63923648

IUPAC[3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine
SMILESNCC1(N2CCC3(CCCC3)CC2)CCCS(=O)(=O)C1
InChIInChI=1S/C15H28N2O2S/c16-12-15(6-3-11-20(18,19)13-15)17-9-7-14(8-10-17)4-1-2-5-14/h1-13,16H2
InChIKeyFGSSECLEHVIRAW-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.55
Rot. Bonds2

About [3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine

[3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine (PubChem CID 63923648) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is [3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine
PubChem CID63923648
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name[3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine
SMILESNCC1(N2CCC3(CCCC3)CC2)CCCS(=O)(=O)C1
InChIInChI=1S/C15H28N2O2S/c16-12-15(6-3-11-20(18,19)13-15)17-9-7-14(8-10-17)4-1-2-5-14/h1-13,16H2
InChIKeyFGSSECLEHVIRAW-UHFFFAOYSA-N
XLogP1.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,1-dioxothian-3-yl]methanamine
CID 107453906
[3-(4-cyclopropylpiperazin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923838
[1,1-dioxo-3-(1,4-thiazepan-4-yl)thian-3-yl]methanamine
CID 63922455
(1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine
CID 105473181
[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine
CID 64571099
[3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine
CID 63156792
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 65319426
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63921849
[1-(8-azaspiro[4.5]decan-8-yl)-3-cyclopropylcyclohexyl]methanamine
CID 64625031
spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]-8-ylmethanamine
CID 118121133
[3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923441

Frequently Asked Questions

What is the IUPAC name of [3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine?
The IUPAC name of [3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine (CID 63923648) is [3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine.
What is the SMILES notation for [3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine?
The canonical SMILES for [3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine is NCC1(N2CCC3(CCCC3)CC2)CCCS(=O)(=O)C1.
What is the InChIKey of [3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine?
The InChIKey is FGSSECLEHVIRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c16-12-15(6-3-11-20(18,19)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)-1,1-dioxothian-3-yl]methanamine?
[3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine has a molecular weight of 300.47 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine is sourced from PubChem (CID 63923648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).