lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine

C11H16LiNO2S — CID 177489558

IUPAClithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CC[CH-]S(=O)(=O)c1ccccc1.[Li+]
InChIInChI=1S/C11H16NO2S.Li/c1-12(2)9-6-10-15(13,14)11-7-4-3-5-8-11;/h3-5,7-8,10H,6,9H2,1-2H3;/q-1;+1
InChIKeyAGHOTFHCGXYQJY-UHFFFAOYSA-N
MW233.26 g/mol
LogP-1.42
Rot. Bonds5

About lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine

lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine (PubChem CID 177489558) has the molecular formula C11H16LiNO2S and a molecular weight of 233.26 g/mol. Its IUPAC name is lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Namelithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine
PubChem CID177489558
Molecular FormulaC11H16LiNO2S
Molecular Weight233.26 g/mol
Exact Mass233.11
IUPAC Namelithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CC[CH-]S(=O)(=O)c1ccccc1.[Li+]
InChIInChI=1S/C11H16NO2S.Li/c1-12(2)9-6-10-15(13,14)11-7-4-3-5-8-11;/h3-5,7-8,10H,6,9H2,1-2H3;/q-1;+1
InChIKeyAGHOTFHCGXYQJY-UHFFFAOYSA-N
XLogP-1.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
N,N-dipropylbenzenesulfonamide
CID 4053954
N-methyl-N-(phenylsulfonimidoyl)methanamine
CID 12509544
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
3-[[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy]-N,N-dimethylpropan-1-amine
CID 44561901
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 123917247
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzenesulfonyl fluoride
CID 114958336
3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine
CID 58531760

Frequently Asked Questions

What is the IUPAC name of lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine (CID 177489558) is lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine is CN(C)CC[CH-]S(=O)(=O)c1ccccc1.[Li+].
What is the InChIKey of lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine?
The InChIKey is AGHOTFHCGXYQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO2S.Li/c1-12(2)9-6-10-15(13,14)11-7-4-3-5-8-11;/h3-5,7-8,10H,6,9H2,1-2H3;/q-1;+1.
What are the key properties of lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine?
lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine has a molecular weight of 233.26 g/mol, XLogP of -1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(benzenesulfonyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 177489558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).