6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one

C15H25N5O3S — CID 118744238

IUPAC6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCCCS(=O)(=O)N1CCC2(CN(c3cnn(C)c3)C(=O)CN2C)C1
InChIInChI=1S/C15H25N5O3S/c1-4-7-24(22,23)19-6-5-15(11-19)12-20(14(21)10-17(15)2)13-8-16-18(3)9-13/h8-9H,4-7,10-12H2,1-3H3
InChIKeyOOTHKMCNWYRYIU-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.12
Rot. Bonds4

About 6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118744238) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118744238
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCCCS(=O)(=O)N1CCC2(CN(c3cnn(C)c3)C(=O)CN2C)C1
InChIInChI=1S/C15H25N5O3S/c1-4-7-24(22,23)19-6-5-15(11-19)12-20(14(21)10-17(15)2)13-8-16-18(3)9-13/h8-9H,4-7,10-12H2,1-3H3
InChIKeyOOTHKMCNWYRYIU-UHFFFAOYSA-N
XLogP-0.12
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 118744238) is 6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one is CCCS(=O)(=O)N1CCC2(CN(c3cnn(C)c3)C(=O)CN2C)C1.
What is the InChIKey of 6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is OOTHKMCNWYRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-4-7-24(22,23)19-6-5-15(11-19)12-20(14(21)10-17(15)2)13-8-16-18(3)9-13/h8-9H,4-7,10-12H2,1-3H3.
What are the key properties of 6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one?
6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 355.46 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118744238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).