N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine

C11H19NO2S2 — CID 65243774

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)CCNCc1cc(C)c(C)s1
InChIInChI=1S/C11H19NO2S2/c1-4-16(13,14)6-5-12-8-11-7-9(2)10(3)15-11/h7,12H,4-6,8H2,1-3H3
InChIKeyISJNPUDUSHCCNK-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.89
Rot. Bonds6

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine (PubChem CID 65243774) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
PubChem CID65243774
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)CCNCc1cc(C)c(C)s1
InChIInChI=1S/C11H19NO2S2/c1-4-16(13,14)6-5-12-8-11-7-9(2)10(3)15-11/h7,12H,4-6,8H2,1-3H3
InChIKeyISJNPUDUSHCCNK-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.89
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-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 65245329
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine
CID 81105748
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 65243947
N'-[(4,5-dimethylthiophen-2-yl)methyl]-N-prop-2-enylethane-1,2-diamine
CID 79280270
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410494
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 65246641
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 65241403
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 65238850
1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide
CID 65245746
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide
CID 65244076

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine (CID 65243774) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine is CCS(=O)(=O)CCNCc1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine?
The InChIKey is ISJNPUDUSHCCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-4-16(13,14)6-5-12-8-11-7-9(2)10(3)15-11/h7,12H,4-6,8H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine is sourced from PubChem (CID 65243774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).