(5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide

C13H23N3O4S — CID 124874694

IUPAC(5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C13H23N3O4S/c1-19-10-8-15(6-2-5-14)21(17,18)16-7-3-13(11-16)4-9-20-12-13/h2-4,6-12H2,1H3/t13-/m1/s1
InChIKeyFZFQTDKOKXKDIK-CYBMUJFWSA-N
MW317.41 g/mol
LogP0.21
Rot. Bonds7

About (5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide

(5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide (PubChem CID 124874694) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is (5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide.

Molecular Properties

Compound Name(5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
PubChem CID124874694
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name(5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C13H23N3O4S/c1-19-10-8-15(6-2-5-14)21(17,18)16-7-3-13(11-16)4-9-20-12-13/h2-4,6-12H2,1H3/t13-/m1/s1
InChIKeyFZFQTDKOKXKDIK-CYBMUJFWSA-N
XLogP0.21
TPSA82.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
The IUPAC name of (5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide (CID 124874694) is (5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide.
What is the SMILES notation for (5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
The canonical SMILES for (5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide is COCCN(CCC#N)S(=O)(=O)N1CC[C@@]2(CCOC2)C1.
What is the InChIKey of (5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
The InChIKey is FZFQTDKOKXKDIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-19-10-8-15(6-2-5-14)21(17,18)16-7-3-13(11-16)4-9-20-12-13/h2-4,6-12H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide?
(5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 0.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-oxa-7-azaspiro[4.4]nonane-7-sulfonamide is sourced from PubChem (CID 124874694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).