N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine

C16H27N3OS — CID 105169854

IUPACN-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H27N3OS/c1-2-9-17-15(14-12-18-19-21-14)13-6-10-20-16(11-13)7-4-3-5-8-16/h12-13,15,17H,2-11H2,1H3
InChIKeyYDACGCQQWXOBFZ-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.71
Rot. Bonds5

About N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine

N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105169854) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105169854
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H27N3OS/c1-2-9-17-15(14-12-18-19-21-14)13-6-10-20-16(11-13)7-4-3-5-8-16/h12-13,15,17H,2-11H2,1H3
InChIKeyYDACGCQQWXOBFZ-UHFFFAOYSA-N
XLogP3.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170732
N-[(4-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79909990
N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 79914070
N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107976597
N-[(2-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105170255
N-[(3-chlorothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016857
N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105010353
N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105154526
N-[(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105166315
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899

Frequently Asked Questions

What is the IUPAC name of N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine (CID 105169854) is N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cnns1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is YDACGCQQWXOBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-2-9-17-15(14-12-18-19-21-14)13-6-10-20-16(11-13)7-4-3-5-8-16/h12-13,15,17H,2-11H2,1H3.
What are the key properties of N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine?
N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105169854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).