N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide

C16H22N2O2S2 — CID 71892205

IUPACN,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
SMILESCc1ccc(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)s1
InChIInChI=1S/C16H22N2O2S2/c1-12-5-8-15(21-12)11-17-13(2)14-6-9-16(10-7-14)22(19,20)18(3)4/h5-10,13,17H,11H2,1-4H3
InChIKeyFGPSAIACIDCQOS-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.16
Rot. Bonds6

About N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide

N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide (PubChem CID 71892205) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
PubChem CID71892205
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC NameN,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
SMILESCc1ccc(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)s1
InChIInChI=1S/C16H22N2O2S2/c1-12-5-8-15(21-12)11-17-13(2)14-6-9-16(10-7-14)22(19,20)18(3)4/h5-10,13,17H,11H2,1-4H3
InChIKeyFGPSAIACIDCQOS-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
N,N-dimethyl-4-[1-[(3,4,5-trifluorophenyl)methylamino]ethyl]benzenesulfonamide
CID 119113191
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 62055705
4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 119114847
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide (CID 71892205) is N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide is Cc1ccc(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)s1.
What is the InChIKey of N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is FGPSAIACIDCQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-12-5-8-15(21-12)11-17-13(2)14-6-9-16(10-7-14)22(19,20)18(3)4/h5-10,13,17H,11H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide?
N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 338.50 g/mol, XLogP of 3.16, 6 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-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 71892205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).