2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide

C9H16N2O2S2 — CID 114385097

IUPAC2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide
SMILESCCc1ccsc1CNCCS(N)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-2-8-3-5-14-9(8)7-11-4-6-15(10,12)13/h3,5,11H,2,4,6-7H2,1H3,(H2,10,12,13)
InChIKeyLPRJHMONHSQWRI-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.69
Rot. Bonds6

About 2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide

2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide (PubChem CID 114385097) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide
PubChem CID114385097
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide
SMILESCCc1ccsc1CNCCS(N)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-2-8-3-5-14-9(8)7-11-4-6-15(10,12)13/h3,5,11H,2,4,6-7H2,1H3,(H2,10,12,13)
InChIKeyLPRJHMONHSQWRI-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromothiophen-2-yl)methylamino]ethanesulfonamide
CID 115379860
N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 113411481
2-ethoxy-N'-[(3-ethylthiophen-2-yl)methyl]butane-1,4-diamine
CID 114227669
N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine
CID 114333451
2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide
CID 106334703
N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 113411502
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106513305
tert-butyl 3-[(3-ethylthiophen-2-yl)methylamino]propanoate
CID 103259361
(E)-4-[(3-ethylthiophen-2-yl)methylamino]but-2-enoic acid
CID 103259343
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 82841766
2-butylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 106512473

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide (CID 114385097) is 2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide is CCc1ccsc1CNCCS(N)(=O)=O.
What is the InChIKey of 2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide?
The InChIKey is LPRJHMONHSQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-2-8-3-5-14-9(8)7-11-4-6-15(10,12)13/h3,5,11H,2,4,6-7H2,1H3,(H2,10,12,13).
What are the key properties of 2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide?
2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide has a molecular weight of 248.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide is sourced from PubChem (CID 114385097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).