1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one

C14H22N4O3S — CID 134698124

IUPAC1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCc1c(S(=O)(=O)N2CCNC(=O)C23CCCCC3)cnn1C
InChIInChI=1S/C14H22N4O3S/c1-11-12(10-16-17(11)2)22(20,21)18-9-8-15-13(19)14(18)6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyUIYIPRRMLGJLTD-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.55
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 134698124) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID134698124
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCc1c(S(=O)(=O)N2CCNC(=O)C23CCCCC3)cnn1C
InChIInChI=1S/C14H22N4O3S/c1-11-12(10-16-17(11)2)22(20,21)18-9-8-15-13(19)14(18)6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyUIYIPRRMLGJLTD-UHFFFAOYSA-N
XLogP0.55
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one (CID 134698124) is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one is Cc1c(S(=O)(=O)N2CCNC(=O)C23CCCCC3)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is UIYIPRRMLGJLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-11-12(10-16-17(11)2)22(20,21)18-9-8-15-13(19)14(18)6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,15,19).
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one?
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 326.42 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134698124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).