8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one

C12H17ClN4O3S — CID 106150743

IUPAC8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C12H17ClN4O3S/c1-16-11(9(13)7-15-16)21(19,20)17-4-2-12(3-5-17)6-10(18)14-8-12/h7H,2-6,8H2,1H3,(H,14,18)
InChIKeyGUTYEIQRCOSVAZ-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.36
Rot. Bonds2

About 8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one

8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 106150743) has the molecular formula C12H17ClN4O3S and a molecular weight of 332.81 g/mol. Its IUPAC name is 8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID106150743
Molecular FormulaC12H17ClN4O3S
Molecular Weight332.81 g/mol
Exact Mass332.07
IUPAC Name8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C12H17ClN4O3S/c1-16-11(9(13)7-15-16)21(19,20)17-4-2-12(3-5-17)6-10(18)14-8-12/h7H,2-6,8H2,1H3,(H,14,18)
InChIKeyGUTYEIQRCOSVAZ-UHFFFAOYSA-N
XLogP0.36
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one (CID 106150743) is 8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one is Cn1ncc(Cl)c1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GUTYEIQRCOSVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3S/c1-16-11(9(13)7-15-16)21(19,20)17-4-2-12(3-5-17)6-10(18)14-8-12/h7H,2-6,8H2,1H3,(H,14,18).
What are the key properties of 8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 332.81 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 106150743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).