6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

C16H25N3O3S2 — CID 118743760

IUPAC6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(C)CS(=O)(=O)N1CCC2(CN(c3ccsc3)C(=O)CN2C)C1
InChIInChI=1S/C16H25N3O3S2/c1-13(2)10-24(21,22)18-6-5-16(11-18)12-19(14-4-7-23-9-14)15(20)8-17(16)3/h4,7,9,13H,5-6,8,10-12H2,1-3H3
InChIKeyIOWFUTKOGIYASJ-UHFFFAOYSA-N
MW371.53 g/mol
LogP1.46
Rot. Bonds4

About 6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118743760) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118743760
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC Name6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(C)CS(=O)(=O)N1CCC2(CN(c3ccsc3)C(=O)CN2C)C1
InChIInChI=1S/C16H25N3O3S2/c1-13(2)10-24(21,22)18-6-5-16(11-18)12-19(14-4-7-23-9-14)15(20)8-17(16)3/h4,7,9,13H,5-6,8,10-12H2,1-3H3
InChIKeyIOWFUTKOGIYASJ-UHFFFAOYSA-N
XLogP1.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131649005
6-methyl-2-methylsulfonyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118744259
2-(2-fluorophenyl)sulfonyl-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155841712
6-methyl-2-(3-phenylpropanoyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131652304
6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131644805
2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131662037
6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118745525
2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118745341
6-methyl-2-(pyrrolidine-1-carbonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118745326
(5R)-6-acetyl-2-(1-methylimidazol-4-yl)sulfonyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373747
N-(2-fluorophenyl)-6-methyl-8-oxo-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131650297
2-butylsulfonyl-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131642895

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 118743760) is 6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is CC(C)CS(=O)(=O)N1CCC2(CN(c3ccsc3)C(=O)CN2C)C1.
What is the InChIKey of 6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is IOWFUTKOGIYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-13(2)10-24(21,22)18-6-5-16(11-18)12-19(14-4-7-23-9-14)15(20)8-17(16)3/h4,7,9,13H,5-6,8,10-12H2,1-3H3.
What are the key properties of 6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 371.53 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118743760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).