5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol

C14H27NO2S — CID 106131335

IUPAC5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
SMILESCC(O)CCCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H27NO2S/c1-12(16)3-2-7-15-13-4-8-17-14(11-13)5-9-18-10-6-14/h12-13,15-16H,2-11H2,1H3
InChIKeyCPTPTSBMLLWQMU-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.18
Rot. Bonds5

About 5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol

5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol (PubChem CID 106131335) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
PubChem CID106131335
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
SMILESCC(O)CCCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H27NO2S/c1-12(16)3-2-7-15-13-4-8-17-14(11-13)5-9-18-10-6-14/h12-13,15-16H,2-11H2,1H3
InChIKeyCPTPTSBMLLWQMU-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.18
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-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
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
N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 113484095
N-(3-propoxypropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82944251
N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106285723
N-[2-(2-methylprop-2-enoxy)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 114467588
N'-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106045761
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035

Frequently Asked Questions

What is the IUPAC name of 5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol?
The IUPAC name of 5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol (CID 106131335) is 5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol.
What is the SMILES notation for 5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol?
The canonical SMILES for 5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol is CC(O)CCCNC1CCOC2(CCSCC2)C1.
What is the InChIKey of 5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol?
The InChIKey is CPTPTSBMLLWQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-12(16)3-2-7-15-13-4-8-17-14(11-13)5-9-18-10-6-14/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol?
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol has a molecular weight of 273.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol is sourced from PubChem (CID 106131335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).