2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C16H29NOS — CID 79911507

IUPAC2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(CSC1CCCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NOS/c17-15(12-19-14-5-1-2-6-14)13-7-10-18-16(11-13)8-3-4-9-16/h13-15H,1-12,17H2
InChIKeyPYAQVWXRVZQFDE-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.73
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 79911507) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID79911507
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(CSC1CCCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NOS/c17-15(12-19-14-5-1-2-6-14)13-7-10-18-16(11-13)8-3-4-9-16/h13-15H,1-12,17H2
InChIKeyPYAQVWXRVZQFDE-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
CID 79911685
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
2-(4-bromophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912214
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
2-(2-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79911439
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 114211655
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 113391352

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 79911507) is 2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is NC(CSC1CCCC1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is PYAQVWXRVZQFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c17-15(12-19-14-5-1-2-6-14)13-7-10-18-16(11-13)8-3-4-9-16/h13-15H,1-12,17H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 283.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 79911507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).