5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide

C14H18N2O2S2 — CID 60903374

IUPAC5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(CCN)s2)c1
InChIInChI=1S/C14H18N2O2S2/c1-11-3-2-4-12(9-11)10-16-20(17,18)14-6-5-13(19-14)7-8-15/h2-6,9,16H,7-8,10,15H2,1H3
InChIKeyMWDVIQBMTNZHLK-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.04
Rot. Bonds6

About 5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide

5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 60903374) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID60903374
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(CCN)s2)c1
InChIInChI=1S/C14H18N2O2S2/c1-11-3-2-4-12(9-11)10-16-20(17,18)14-6-5-13(19-14)7-8-15/h2-6,9,16H,7-8,10,15H2,1H3
InChIKeyMWDVIQBMTNZHLK-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 63244126
5-(2-aminoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 43520972
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 62500636
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992219
5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 43520900
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
N-[(3-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936017
5-(2-aminoethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106049150
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110
3-[[(5-ethylthiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 61454207
5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
CID 62004378

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide (CID 60903374) is 5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide is Cc1cccc(CNS(=O)(=O)c2ccc(CCN)s2)c1.
What is the InChIKey of 5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is MWDVIQBMTNZHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-11-3-2-4-12(9-11)10-16-20(17,18)14-6-5-13(19-14)7-8-15/h2-6,9,16H,7-8,10,15H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 60903374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).