N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide

C15H24N2O2S — CID 103561319

IUPACN,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
SMILESCC(C)C1CC(Nc2cccc(S(=O)(=O)N(C)C)c2)C1
InChIInChI=1S/C15H24N2O2S/c1-11(2)12-8-14(9-12)16-13-6-5-7-15(10-13)20(18,19)17(3)4/h5-7,10-12,14,16H,8-9H2,1-4H3
InChIKeyAWKPSCHMNHYMEG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.78
Rot. Bonds5

About N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide

N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide (PubChem CID 103561319) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
PubChem CID103561319
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
SMILESCC(C)C1CC(Nc2cccc(S(=O)(=O)N(C)C)c2)C1
InChIInChI=1S/C15H24N2O2S/c1-11(2)12-8-14(9-12)16-13-6-5-7-15(10-13)20(18,19)17(3)4/h5-7,10-12,14,16H,8-9H2,1-4H3
InChIKeyAWKPSCHMNHYMEG-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534
N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43715600
N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide
CID 54906646
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
CID 62704990
N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 63000001
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
trans-(1S,2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 9093768
3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561413
1-adamantyl-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]azanium
CID 9358447
3-(hexan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43784811
(2S)-2-(1-adamantylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8513429
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049077

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide (CID 103561319) is N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide is CC(C)C1CC(Nc2cccc(S(=O)(=O)N(C)C)c2)C1.
What is the InChIKey of N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide?
The InChIKey is AWKPSCHMNHYMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)12-8-14(9-12)16-13-6-5-7-15(10-13)20(18,19)17(3)4/h5-7,10-12,14,16H,8-9H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide?
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide is sourced from PubChem (CID 103561319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).