1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide

C8H14N2O2S2 — CID 106070014

IUPAC1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C8H14N2O2S2/c1-7(5-9-2)14(11,12)10-8-3-4-13-6-8/h3-4,6-7,9-10H,5H2,1-2H3
InChIKeySAOZLPRGBLJUFS-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.10
Rot. Bonds5

About 1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide

1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide (PubChem CID 106070014) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide
PubChem CID106070014
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Name1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C8H14N2O2S2/c1-7(5-9-2)14(11,12)10-8-3-4-13-6-8/h3-4,6-7,9-10H,5H2,1-2H3
InChIKeySAOZLPRGBLJUFS-UHFFFAOYSA-N
XLogP1.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106060646
N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 107447139
4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide
CID 106070098
1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 106031789
1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide
CID 106074537
N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106087915
1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide
CID 106074521
N-methyl-1-thiophen-3-ylethanesulfonamide
CID 165445460
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030674
N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 106018428
N-methylthiophen-3-amine
CID 642344

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide (CID 106070014) is 1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1ccsc1.
What is the InChIKey of 1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide?
The InChIKey is SAOZLPRGBLJUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-7(5-9-2)14(11,12)10-8-3-4-13-6-8/h3-4,6-7,9-10H,5H2,1-2H3.
What are the key properties of 1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide?
1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide has a molecular weight of 234.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide is sourced from PubChem (CID 106070014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).