2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol

C15H23NO3S — CID 106435314

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol
SMILESOC(CNC1CCOC2(CCOCC2)C1)c1ccsc1
InChIInChI=1S/C15H23NO3S/c17-14(12-2-8-20-11-12)10-16-13-1-5-19-15(9-13)3-6-18-7-4-15/h2,8,11,13-14,16-17H,1,3-7,9-10H2
InChIKeySSBALRASBBZRTD-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.10
Rot. Bonds4

About 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol

2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol (PubChem CID 106435314) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol
PubChem CID106435314
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol
SMILESOC(CNC1CCOC2(CCOCC2)C1)c1ccsc1
InChIInChI=1S/C15H23NO3S/c17-14(12-2-8-20-11-12)10-16-13-1-5-19-15(9-13)3-6-18-7-4-15/h2,8,11,13-14,16-17H,1,3-7,9-10H2
InChIKeySSBALRASBBZRTD-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(9R)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234996
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234998
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70727079
N-(1-thiophen-3-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79904180
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide
CID 106435444
1-cyclopropyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)ethanol
CID 79903192
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
CID 79900947
4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide
CID 106435490
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901356

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol (CID 106435314) is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol is OC(CNC1CCOC2(CCOCC2)C1)c1ccsc1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol?
The InChIKey is SSBALRASBBZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c17-14(12-2-8-20-11-12)10-16-13-1-5-19-15(9-13)3-6-18-7-4-15/h2,8,11,13-14,16-17H,1,3-7,9-10H2.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol?
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol has a molecular weight of 297.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).