6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol

C15H29NO2S — CID 107851771

IUPAC6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
SMILESOCCCCCCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H29NO2S/c17-9-4-2-1-3-8-16-14-5-10-18-15(13-14)6-11-19-12-7-15/h14,16-17H,1-13H2
InChIKeyYTAHKLKPYMRKPQ-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.57
Rot. Bonds7

About 6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol

6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol (PubChem CID 107851771) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
PubChem CID107851771
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
SMILESOCCCCCCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H29NO2S/c17-9-4-2-1-3-8-16-14-5-10-18-15(13-14)6-11-19-12-7-15/h14,16-17H,1-13H2
InChIKeyYTAHKLKPYMRKPQ-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine
CID 79895464
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol
CID 79904024
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106131335
N-(3-propoxypropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82944251
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
N-(2-pyrrolidin-1-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903880
N-[2-(2-methylprop-2-enoxy)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 114467588
N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783
N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 113484095
2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide
CID 106174800

Frequently Asked Questions

What is the IUPAC name of 6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol?
The IUPAC name of 6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol (CID 107851771) is 6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol?
The canonical SMILES for 6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol is OCCCCCCNC1CCOC2(CCSCC2)C1.
What is the InChIKey of 6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol?
The InChIKey is YTAHKLKPYMRKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c17-9-4-2-1-3-8-16-14-5-10-18-15(13-14)6-11-19-12-7-15/h14,16-17H,1-13H2.
What are the key properties of 6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol?
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol has a molecular weight of 287.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol is sourced from PubChem (CID 107851771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).