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

C13H24N2OS — CID 103967571

IUPACN-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCC(C)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C13H24N2OS/c1-11(8-16-2)15-12-14-9-13(10-17-12)6-4-3-5-7-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyADUQPXLZRRGSOQ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds3

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

N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967571) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967571
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCC(C)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C13H24N2OS/c1-11(8-16-2)15-12-14-9-13(10-17-12)6-4-3-5-7-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyADUQPXLZRRGSOQ-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967901
N-[2-(2,2-difluoroethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105916897
N-propan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967541
N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N-butan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967544
N-pentan-3-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967547
N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967564
N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967625
N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967659
N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967693
Ethyl 2-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)propanoate
CID 103967746
N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967748

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967571) is N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COCC(C)NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is ADUQPXLZRRGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-11(8-16-2)15-12-14-9-13(10-17-12)6-4-3-5-7-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 256.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).