N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide

C14H24N2O3S2 — CID 115896099

IUPACN,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
SMILESCC(NCC(C)S(C)=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O3S2/c1-11(20(5)17)10-15-12(2)13-6-8-14(9-7-13)21(18,19)16(3)4/h6-9,11-12,15H,10H2,1-5H3
InChIKeyCLJRMPVURWYDIZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.35
Rot. Bonds7

About N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide

N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide (PubChem CID 115896099) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
PubChem CID115896099
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
SMILESCC(NCC(C)S(C)=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O3S2/c1-11(20(5)17)10-15-12(2)13-6-8-14(9-7-13)21(18,19)16(3)4/h6-9,11-12,15H,10H2,1-5H3
InChIKeyCLJRMPVURWYDIZ-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
CID 106170973
4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 63298736
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115896159
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 71892205
4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide (CID 115896099) is N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide is CC(NCC(C)S(C)=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide?
The InChIKey is CLJRMPVURWYDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-11(20(5)17)10-15-12(2)13-6-8-14(9-7-13)21(18,19)16(3)4/h6-9,11-12,15H,10H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide?
N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 115896099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).