(5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane

C15H17FN2O3S — CID 164632826

IUPAC(5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESO=S(=O)(c1c[nH]c2cccc(F)c12)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C15H17FN2O3S/c16-11-2-1-3-12-14(11)13(8-17-12)22(19,20)18-6-4-15(9-18)5-7-21-10-15/h1-3,8,17H,4-7,9-10H2/t15-/m0/s1
InChIKeyLWUVQERNDSMJET-HNNXBMFYSA-N
MW324.38 g/mol
LogP2.11
Rot. Bonds2

About (5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane

(5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 164632826) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is (5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane
PubChem CID164632826
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name(5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESO=S(=O)(c1c[nH]c2cccc(F)c12)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C15H17FN2O3S/c16-11-2-1-3-12-14(11)13(8-17-12)22(19,20)18-6-4-15(9-18)5-7-21-10-15/h1-3,8,17H,4-7,9-10H2/t15-/m0/s1
InChIKeyLWUVQERNDSMJET-HNNXBMFYSA-N
XLogP2.11
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane (CID 164632826) is (5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane is O=S(=O)(c1c[nH]c2cccc(F)c12)N1CC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is LWUVQERNDSMJET-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c16-11-2-1-3-12-14(11)13(8-17-12)22(19,20)18-6-4-15(9-18)5-7-21-10-15/h1-3,8,17H,4-7,9-10H2/t15-/m0/s1.
What are the key properties of (5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane?
(5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 324.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 164632826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).