N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C13H22N2OS — CID 113294275

IUPACN-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESC1CCC2(C1)CN=C(NCC1CCOC1)SC2
InChIInChI=1S/C13H22N2OS/c1-2-5-13(4-1)9-15-12(17-10-13)14-7-11-3-6-16-8-11/h11H,1-10H2,(H,14,15)
InChIKeyRZMJKZVRNAYCCN-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.28
Rot. Bonds2

About N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 113294275) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID113294275
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESC1CCC2(C1)CN=C(NCC1CCOC1)SC2
InChIInChI=1S/C13H22N2OS/c1-2-5-13(4-1)9-15-12(17-10-13)14-7-11-3-6-16-8-11/h11H,1-10H2,(H,14,15)
InChIKeyRZMJKZVRNAYCCN-UHFFFAOYSA-N
XLogP2.28
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 113359779
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967744
N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250265
N-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361472
N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 75377453
N-(2,4,6-trifluorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361736
5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
CID 104841332
[1-(oxolan-3-ylmethylamino)cyclohexyl]methanol
CID 62520251
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 113294275) is N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is C1CCC2(C1)CN=C(NCC1CCOC1)SC2.
What is the InChIKey of N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is RZMJKZVRNAYCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-5-13(4-1)9-15-12(17-10-13)14-7-11-3-6-16-8-11/h11H,1-10H2,(H,14,15).
What are the key properties of N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 254.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 113294275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).