3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol

C15H27NO2S — CID 106129756

IUPAC3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C15H27NO2S/c17-14-2-1-12(9-14)11-16-13-3-6-18-15(10-13)4-7-19-8-5-15/h12-14,16-17H,1-11H2
InChIKeyCRAGCQIZDTVQCD-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.18
Rot. Bonds3

About 3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol

3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol (PubChem CID 106129756) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol
PubChem CID106129756
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C15H27NO2S/c17-14-2-1-12(9-14)11-16-13-3-6-18-15(10-13)4-7-19-8-5-15/h12-14,16-17H,1-11H2
InChIKeyCRAGCQIZDTVQCD-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclopentan-1-ol
CID 106129503
3-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclopentan-1-ol
CID 106130055
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
CID 106133298
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
N-[2-(2-methylprop-2-enoxy)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 114467588
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol
CID 79904024
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
N-[(4-ethylmorpholin-2-yl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 114399861
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426

Frequently Asked Questions

What is the IUPAC name of 3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol (CID 106129756) is 3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol is OC1CCC(CNC2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of 3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is CRAGCQIZDTVQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c17-14-2-1-12(9-14)11-16-13-3-6-18-15(10-13)4-7-19-8-5-15/h12-14,16-17H,1-11H2.
What are the key properties of 3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol?
3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 285.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106129756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).