3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide

C18H27N3O3S — CID 166235723

IUPAC3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CCN(C)C3)C2)cc1C
InChIInChI=1S/C18H27N3O3S/c1-14-4-5-16(10-15(14)2)25(23,24)19-11-17(22)21-9-7-18(13-21)6-8-20(3)12-18/h4-5,10,19H,6-9,11-13H2,1-3H3
InChIKeyBNBSMLFIGJSBPV-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.14
Rot. Bonds4

About 3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide

3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 166235723) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID166235723
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CCN(C)C3)C2)cc1C
InChIInChI=1S/C18H27N3O3S/c1-14-4-5-16(10-15(14)2)25(23,24)19-11-17(22)21-9-7-18(13-21)6-8-20(3)12-18/h4-5,10,19H,6-9,11-13H2,1-3H3
InChIKeyBNBSMLFIGJSBPV-UHFFFAOYSA-N
XLogP1.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 112994213
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112991969
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 4968832
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
propan-2-yl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 43010505
1-[[(3,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450138
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570229

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide (CID 166235723) is 3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CCN(C)C3)C2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is BNBSMLFIGJSBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-4-5-16(10-15(14)2)25(23,24)19-11-17(22)21-9-7-18(13-21)6-8-20(3)12-18/h4-5,10,19H,6-9,11-13H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide?
3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 166235723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).