N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide

C14H20N2O2S3 — CID 79489921

IUPACN,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)N(C)CCc2cccs2)c(C)s1
InChIInChI=1S/C14H20N2O2S3/c1-11-14(9-13(20-11)10-15-2)21(17,18)16(3)7-6-12-5-4-8-19-12/h4-5,8-9,15H,6-7,10H2,1-3H3
InChIKeyHNELPXBPQWQSPF-UHFFFAOYSA-N
MW344.53 g/mol
LogP2.70
Rot. Bonds7

About N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide

N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide (PubChem CID 79489921) has the molecular formula C14H20N2O2S3 and a molecular weight of 344.53 g/mol. Its IUPAC name is N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
PubChem CID79489921
Molecular FormulaC14H20N2O2S3
Molecular Weight344.53 g/mol
Exact Mass344.07
IUPAC NameN,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)N(C)CCc2cccs2)c(C)s1
InChIInChI=1S/C14H20N2O2S3/c1-11-14(9-13(20-11)10-15-2)21(17,18)16(3)7-6-12-5-4-8-19-12/h4-5,8-9,15H,6-7,10H2,1-3H3
InChIKeyHNELPXBPQWQSPF-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 102754325
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733479
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126
5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 79489710
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide (CID 79489921) is N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)N(C)CCc2cccs2)c(C)s1.
What is the InChIKey of N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
The InChIKey is HNELPXBPQWQSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S3/c1-11-14(9-13(20-11)10-15-2)21(17,18)16(3)7-6-12-5-4-8-19-12/h4-5,8-9,15H,6-7,10H2,1-3H3.
What are the key properties of N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide has a molecular weight of 344.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 79489921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).