N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine

C14H23N3O2S — CID 105170342

IUPACN-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23N3O2S/c1-2-5-15-13(12-9-16-17-20-12)11-3-6-19-14(8-11)4-7-18-10-14/h9,11,13,15H,2-8,10H2,1H3
InChIKeyJYQRKSDYQSGEDG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.16
Rot. Bonds5

About N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine

N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105170342) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105170342
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23N3O2S/c1-2-5-15-13(12-9-16-17-20-12)11-3-6-19-14(8-11)4-7-18-10-14/h9,11,13,15H,2-8,10H2,1H3
InChIKeyJYQRKSDYQSGEDG-UHFFFAOYSA-N
XLogP2.16
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105169854
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170732
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 82888518
N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016988
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515
N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105154526
N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017030
N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
CID 79908966
N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105147184
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923010
N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190201

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine (CID 105170342) is N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cnns1)C1CCOC2(CCOC2)C1.
What is the InChIKey of N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is JYQRKSDYQSGEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-5-15-13(12-9-16-17-20-12)11-3-6-19-14(8-11)4-7-18-10-14/h9,11,13,15H,2-8,10H2,1H3.
What are the key properties of N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine?
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105170342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).