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

C15H26N2OS — CID 103967784

IUPACN-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCC1CCCCO1)SC2
InChIInChI=1S/C15H26N2OS/c1-3-7-15(8-4-1)11-17-14(19-12-15)16-10-13-6-2-5-9-18-13/h13H,1-12H2,(H,16,17)
InChIKeyPBBXRLDYNUCMQR-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.20
Rot. Bonds2

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

N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967784) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967784
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NCC1CCCCO1)SC2
InChIInChI=1S/C15H26N2OS/c1-3-7-15(8-4-1)11-17-14(19-12-15)16-10-13-6-2-5-9-18-13/h13H,1-12H2,(H,16,17)
InChIKeyPBBXRLDYNUCMQR-UHFFFAOYSA-N
XLogP3.20
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61611927
5-methyl-N-(oxan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035707
N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967625
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-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967680
N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967693
N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967708
N-[2-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967793
N-(oxan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967806
N-[2-(3-methylbutoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967817

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967784) is N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is C1CCC2(CC1)CN=C(NCC1CCCCO1)SC2.
What is the InChIKey of N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is PBBXRLDYNUCMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-7-15(8-4-1)11-17-14(19-12-15)16-10-13-6-2-5-9-18-13/h13H,1-12H2,(H,16,17).
What are the key properties of N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 282.45 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).