2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide

C25H41N3O3S — CID 110162268

IUPAC2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC2(CC1)CCC(C)(C)N(S(=O)(=O)CC(C)C)C2
InChIInChI=1S/C25H41N3O3S/c1-19(2)17-32(30,31)28-18-25(11-10-24(28,5)6)12-14-27(15-13-25)16-22(29)26-23-20(3)8-7-9-21(23)4/h7-9,19H,10-18H2,1-6H3,(H,26,29)
InChIKeyQWLDTYSQSJEWGR-UHFFFAOYSA-N
MW463.69 g/mol
LogP4.18
Rot. Bonds6

About 2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide

2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 110162268) has the molecular formula C25H41N3O3S and a molecular weight of 463.69 g/mol. Its IUPAC name is 2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID110162268
Molecular FormulaC25H41N3O3S
Molecular Weight463.69 g/mol
Exact Mass463.29
IUPAC Name2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC2(CC1)CCC(C)(C)N(S(=O)(=O)CC(C)C)C2
InChIInChI=1S/C25H41N3O3S/c1-19(2)17-32(30,31)28-18-25(11-10-24(28,5)6)12-14-27(15-13-25)16-22(29)26-23-20(3)8-7-9-21(23)4/h7-9,19H,10-18H2,1-6H3,(H,26,29)
InChIKeyQWLDTYSQSJEWGR-UHFFFAOYSA-N
XLogP4.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.69
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 110162571
N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide
CID 167289604
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
N-(2,6-dimethylphenyl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 167289629
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120772287
2-(2-benzylsulfonyl-3,3-dimethyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 110077714
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
2-[4,4-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 110167397
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,3-dimethyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
CID 110162470
N-(2,6-dimethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902945

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide (CID 110162268) is 2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCC2(CC1)CCC(C)(C)N(S(=O)(=O)CC(C)C)C2.
What is the InChIKey of 2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is QWLDTYSQSJEWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O3S/c1-19(2)17-32(30,31)28-18-25(11-10-24(28,5)6)12-14-27(15-13-25)16-22(29)26-23-20(3)8-7-9-21(23)4/h7-9,19H,10-18H2,1-6H3,(H,26,29).
What are the key properties of 2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 463.69 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-2-(2-methylpropylsulfonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 110162268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).