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

C16H29N3OS — CID 103967748

IUPACN-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(CN1CCOCC1)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C16H29N3OS/c1-14(11-19-7-9-20-10-8-19)18-15-17-12-16(13-21-15)5-3-2-4-6-16/h14H,2-13H2,1H3,(H,17,18)
InChIKeyUAIGGJDLUWTKIS-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.35
Rot. Bonds3

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

N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967748) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967748
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(CN1CCOCC1)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C16H29N3OS/c1-14(11-19-7-9-20-10-8-19)18-15-17-12-16(13-21-15)5-3-2-4-6-16/h14H,2-13H2,1H3,(H,17,18)
InChIKeyUAIGGJDLUWTKIS-UHFFFAOYSA-N
XLogP2.35
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine with MolForge

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Related Compounds

N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967571
N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967625
N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967664
N-(1-methylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967711
N-(1-ethylpiperidin-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967738
N-(1-piperidin-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967747
N-[(1-methylpiperidin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967797
N-(2-piperidin-1-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967811
N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
CID 103967864
N-(oxan-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967891
N-(1-methoxybutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967920
N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967921

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967748) is N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC(CN1CCOCC1)NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is UAIGGJDLUWTKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-14(11-19-7-9-20-10-8-19)18-15-17-12-16(13-21-15)5-3-2-4-6-16/h14H,2-13H2,1H3,(H,17,18).
What are the key properties of N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 311.50 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).