9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

C14H24N4O2S — CID 118745528

IUPAC9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCCC3(CCCN3S(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-16-10-13(9-15-16)11-17-7-3-5-14(12-17)6-4-8-18(14)21(2,19)20/h9-10H,3-8,11-12H2,1-2H3
InChIKeyIDUXMYPDIZSYGE-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.81
Rot. Bonds3

About 9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (PubChem CID 118745528) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
PubChem CID118745528
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCCC3(CCCN3S(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-16-10-13(9-15-16)11-17-7-3-5-14(12-17)6-4-8-18(14)21(2,19)20/h9-10H,3-8,11-12H2,1-2H3
InChIKeyIDUXMYPDIZSYGE-UHFFFAOYSA-N
XLogP0.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (CID 118745528) is 9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is Cn1cc(CN2CCCC3(CCCN3S(C)(=O)=O)C2)cn1.
What is the InChIKey of 9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The InChIKey is IDUXMYPDIZSYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-16-10-13(9-15-16)11-17-7-3-5-14(12-17)6-4-8-18(14)21(2,19)20/h9-10H,3-8,11-12H2,1-2H3.
What are the key properties of 9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane has a molecular weight of 312.44 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118745528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).