7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane

C16H28N4O3S — CID 91923511

IUPAC7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane
SMILESCCN1CCCN(S(=O)(=O)c2cnn(CC)c2)CC12CCOCC2
InChIInChI=1S/C16H28N4O3S/c1-3-18-8-5-9-20(14-16(18)6-10-23-11-7-16)24(21,22)15-12-17-19(4-2)13-15/h12-13H,3-11,14H2,1-2H3
InChIKeyRAAYVFNASYRZHC-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.17
Rot. Bonds4

About 7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane

7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane (PubChem CID 91923511) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane
PubChem CID91923511
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane
SMILESCCN1CCCN(S(=O)(=O)c2cnn(CC)c2)CC12CCOCC2
InChIInChI=1S/C16H28N4O3S/c1-3-18-8-5-9-20(14-16(18)6-10-23-11-7-16)24(21,22)15-12-17-19(4-2)13-15/h12-13H,3-11,14H2,1-2H3
InChIKeyRAAYVFNASYRZHC-UHFFFAOYSA-N
XLogP1.17
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane (CID 91923511) is 7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane is CCN1CCCN(S(=O)(=O)c2cnn(CC)c2)CC12CCOCC2.
What is the InChIKey of 7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
The InChIKey is RAAYVFNASYRZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-3-18-8-5-9-20(14-16(18)6-10-23-11-7-16)24(21,22)15-12-17-19(4-2)13-15/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane has a molecular weight of 356.49 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-11-(1-ethylpyrazol-4-yl)sulfonyl-3-oxa-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 91923511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).