N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C14H24N2O2S — CID 103967708

IUPACN-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCC1COCCO1)SC2
InChIInChI=1S/C14H24N2O2S/c1-2-4-14(5-3-1)10-16-13(19-11-14)15-8-12-9-17-6-7-18-12/h12H,1-11H2,(H,15,16)
InChIKeyJDDFYTOACYXWLY-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.04
Rot. Bonds2

About N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967708) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967708
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCC1COCCO1)SC2
InChIInChI=1S/C14H24N2O2S/c1-2-4-14(5-3-1)10-16-13(19-11-14)15-8-12-9-17-6-7-18-12/h12H,1-11H2,(H,15,16)
InChIKeyJDDFYTOACYXWLY-UHFFFAOYSA-N
XLogP2.04
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N-(oxolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967640
N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967664
N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967784
N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967803
N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967818
N-(oxan-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967891
N-(2-cyclohexyloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967900
N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967963
N-(3-propoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968020
N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 104763254
N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 104763295

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967708) is N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is C1CCC2(CC1)CN=C(NCC1COCCO1)SC2.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is JDDFYTOACYXWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-2-4-14(5-3-1)10-16-13(19-11-14)15-8-12-9-17-6-7-18-12/h12H,1-11H2,(H,15,16).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 284.43 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).