5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide

C15H18N2O2S2 — CID 106059579

IUPAC5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N2O2S2/c1-10-15(8-14(9-16)20-10)21(18,19)17-13-6-5-11-3-2-4-12(11)7-13/h5-8,17H,2-4,9,16H2,1H3
InChIKeyJXURHLLRIKBPPG-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.80
Rot. Bonds4

About 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 106059579) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide
PubChem CID106059579
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N2O2S2/c1-10-15(8-14(9-16)20-10)21(18,19)17-13-6-5-11-3-2-4-12(11)7-13/h5-8,17H,2-4,9,16H2,1H3
InChIKeyJXURHLLRIKBPPG-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide
CID 106026493
5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088723
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)furan-2-sulfonamide
CID 106059570
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485
5-(aminomethyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide
CID 106053168
5-(aminomethyl)-N-(2,4-dichlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106057468
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086961
2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 43258379
2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide
CID 62150632
5-(aminomethyl)-N-(5-bromo-2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106056715

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide (CID 106059579) is 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is JXURHLLRIKBPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-10-15(8-14(9-16)20-10)21(18,19)17-13-6-5-11-3-2-4-12(11)7-13/h5-8,17H,2-4,9,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 322.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106059579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).