5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide

C13H18N2O2S3 — CID 97104370

IUPAC5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccsc2)s1
InChIInChI=1S/C13H18N2O2S3/c1-10-3-4-13(19-10)20(16,17)15-7-6-14-11(2)12-5-8-18-9-12/h3-5,8-9,11,14-15H,6-7H2,1-2H3/t11-/m1/s1
InChIKeyOOMGFMJWXVHMBT-LLVKDONJSA-N
MW330.50 g/mol
LogP2.75
Rot. Bonds7

About 5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide (PubChem CID 97104370) has the molecular formula C13H18N2O2S3 and a molecular weight of 330.50 g/mol. Its IUPAC name is 5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide
PubChem CID97104370
Molecular FormulaC13H18N2O2S3
Molecular Weight330.50 g/mol
Exact Mass330.05
IUPAC Name5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccsc2)s1
InChIInChI=1S/C13H18N2O2S3/c1-10-3-4-13(19-10)20(16,17)15-7-6-14-11(2)12-5-8-18-9-12/h3-5,8-9,11,14-15H,6-7H2,1-2H3/t11-/m1/s1
InChIKeyOOMGFMJWXVHMBT-LLVKDONJSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
CID 16932760
5-methyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606719
5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606723
5-methyl-N-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133395402
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 62844793
2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 80540211
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide (CID 97104370) is 5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccsc2)s1.
What is the InChIKey of 5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is OOMGFMJWXVHMBT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O2S3/c1-10-3-4-13(19-10)20(16,17)15-7-6-14-11(2)12-5-8-18-9-12/h3-5,8-9,11,14-15H,6-7H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 330.50 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97104370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).