(3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol

C14H18ClNO3S — CID 164630812

IUPAC(3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CC[C@@H]2O)CC1
InChIInChI=1S/C14H18ClNO3S/c15-11-3-1-2-4-12(11)20(18,19)16-9-7-14(8-10-16)6-5-13(14)17/h1-4,13,17H,5-10H2/t13-/m0/s1
InChIKeyOQEQXIJGJVPHOY-ZDUSSCGKSA-N
MW315.82 g/mol
LogP2.27
Rot. Bonds2

About (3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol

(3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol (PubChem CID 164630812) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is (3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name(3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol
PubChem CID164630812
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name(3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CC[C@@H]2O)CC1
InChIInChI=1S/C14H18ClNO3S/c15-11-3-1-2-4-12(11)20(18,19)16-9-7-14(8-10-16)6-5-13(14)17/h1-4,13,17H,5-10H2/t13-/m0/s1
InChIKeyOQEQXIJGJVPHOY-ZDUSSCGKSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol?
The IUPAC name of (3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol (CID 164630812) is (3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol.
What is the SMILES notation for (3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol?
The canonical SMILES for (3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol is O=S(=O)(c1ccccc1Cl)N1CCC2(CC[C@@H]2O)CC1.
What is the InChIKey of (3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol?
The InChIKey is OQEQXIJGJVPHOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c15-11-3-1-2-4-12(11)20(18,19)16-9-7-14(8-10-16)6-5-13(14)17/h1-4,13,17H,5-10H2/t13-/m0/s1.
What are the key properties of (3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol?
(3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol has a molecular weight of 315.82 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-(2-chlorophenyl)sulfonyl-7-azaspiro[3.5]nonan-3-ol is sourced from PubChem (CID 164630812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).