1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol

C15H22N2O3S2 — CID 134389561

IUPAC1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol
SMILESCC(O)c1ccc(S(=O)(=O)N2CCC3(CC2)NCCS3)cc1
InChIInChI=1S/C15H22N2O3S2/c1-12(18)13-2-4-14(5-3-13)22(19,20)17-9-6-15(7-10-17)16-8-11-21-15/h2-5,12,16,18H,6-11H2,1H3
InChIKeyGJMJQAQWKKVQKZ-UHFFFAOYSA-N
MW342.49 g/mol
LogP1.56
Rot. Bonds3

About 1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol

1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol (PubChem CID 134389561) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol
PubChem CID134389561
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol
SMILESCC(O)c1ccc(S(=O)(=O)N2CCC3(CC2)NCCS3)cc1
InChIInChI=1S/C15H22N2O3S2/c1-12(18)13-2-4-14(5-3-13)22(19,20)17-9-6-15(7-10-17)16-8-11-21-15/h2-5,12,16,18H,6-11H2,1H3
InChIKeyGJMJQAQWKKVQKZ-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol?
The IUPAC name of 1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol (CID 134389561) is 1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol is CC(O)c1ccc(S(=O)(=O)N2CCC3(CC2)NCCS3)cc1.
What is the InChIKey of 1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol?
The InChIKey is GJMJQAQWKKVQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-12(18)13-2-4-14(5-3-13)22(19,20)17-9-6-15(7-10-17)16-8-11-21-15/h2-5,12,16,18H,6-11H2,1H3.
What are the key properties of 1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol?
1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol has a molecular weight of 342.49 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-thia-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]ethanol is sourced from PubChem (CID 134389561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).