N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide

C14H18N2O2S2 — CID 62500636

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CCN)cc2)s1
InChIInChI=1S/C14H18N2O2S2/c1-11-2-7-14(19-11)20(17,18)16-10-13-5-3-12(4-6-13)8-9-15/h2-7,16H,8-10,15H2,1H3
InChIKeyMISYJDNZXBTIID-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.04
Rot. Bonds6

About N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide

N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 62500636) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
PubChem CID62500636
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CCN)cc2)s1
InChIInChI=1S/C14H18N2O2S2/c1-11-2-7-14(19-11)20(17,18)16-10-13-5-3-12(4-6-13)8-9-15/h2-7,16H,8-10,15H2,1H3
InChIKeyMISYJDNZXBTIID-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

N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 86870469
5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 60903374
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257
5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785688
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-[[3-(bromomethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 113271866
5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 63244126
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
CID 63733262
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 43550344
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide (CID 62500636) is N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(CCN)cc2)s1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is MISYJDNZXBTIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-11-2-7-14(19-11)20(17,18)16-10-13-5-3-12(4-6-13)8-9-15/h2-7,16H,8-10,15H2,1H3.
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-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 N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 62500636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).