N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine

C14H16ClNO2S2 — CID 106512373

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine
SMILESCc1ccc(S(=O)(=O)CCNCc2ccc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNO2S2/c1-11-2-5-13(6-3-11)20(17,18)9-8-16-10-12-4-7-14(15)19-12/h2-7,16H,8-10H2,1H3
InChIKeySONNJDDFPBYPJT-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.27
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine (PubChem CID 106512373) has the molecular formula C14H16ClNO2S2 and a molecular weight of 329.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine
PubChem CID106512373
Molecular FormulaC14H16ClNO2S2
Molecular Weight329.87 g/mol
Exact Mass329.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine
SMILESCc1ccc(S(=O)(=O)CCNCc2ccc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNO2S2/c1-11-2-5-13(6-3-11)20(17,18)9-8-16-10-12-4-7-14(15)19-12/h2-7,16H,8-10H2,1H3
InChIKeySONNJDDFPBYPJT-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-2-(4-methylphenyl)sulfonylethanamine
CID 106512322
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554583
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
CID 47071854
N-[(5-chlorothiophen-2-yl)methyl]-N'-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 63502732
N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
CID 62576712
N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132
N-[(5-chlorothiophen-2-yl)methyl]pent-3-yn-1-amine
CID 104806987
N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708538
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 106046353
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904677

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine (CID 106512373) is N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine is Cc1ccc(S(=O)(=O)CCNCc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine?
The InChIKey is SONNJDDFPBYPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S2/c1-11-2-5-13(6-3-11)20(17,18)9-8-16-10-12-4-7-14(15)19-12/h2-7,16H,8-10H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine has a molecular weight of 329.87 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylphenyl)sulfonylethanamine is sourced from PubChem (CID 106512373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).