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

C14H24N2OS — CID 103967693

IUPACN-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NC1CCOCC1)SC2
InChIInChI=1S/C14H24N2OS/c1-2-6-14(7-3-1)10-15-13(18-11-14)16-12-4-8-17-9-5-12/h12H,1-11H2,(H,15,16)
InChIKeyKZUCMDVYWAFRJE-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.81
Rot. Bonds1

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

N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967693) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967693
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC2(CC1)CN=C(NC1CCOCC1)SC2
InChIInChI=1S/C14H24N2OS/c1-2-6-14(7-3-1)10-15-13(18-11-14)16-12-4-8-17-9-5-12/h12H,1-11H2,(H,15,16)
InChIKeyKZUCMDVYWAFRJE-UHFFFAOYSA-N
XLogP2.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diethyloxan-4-yl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 83028427
N-(2,2-dimethyloxan-4-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 83028670
N-(2,2-diethyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83029335
N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967571
N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967659
N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967784
N-[2-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967793
N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967799
N-(oxan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967806
N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967818
N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967825
N-(oxolan-3-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967860

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967693) is N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is C1CCC2(CC1)CN=C(NC1CCOCC1)SC2.
What is the InChIKey of N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is KZUCMDVYWAFRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-6-14(7-3-1)10-15-13(18-11-14)16-12-4-8-17-9-5-12/h12H,1-11H2,(H,15,16).
What are the key properties of N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 268.43 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).