N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide

C15H22N2O2S2 — CID 106334491

IUPACN-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)c1sc2ccccc2c1C
InChIInChI=1S/C15H22N2O2S2/c1-4-17-21(18,19)10-9-16-12(3)15-11(2)13-7-5-6-8-14(13)20-15/h5-8,12,16-17H,4,9-10H2,1-3H3
InChIKeyKDCQESJQTHMHPE-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.80
Rot. Bonds7

About N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide

N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide (PubChem CID 106334491) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide
PubChem CID106334491
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC NameN-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)c1sc2ccccc2c1C
InChIInChI=1S/C15H22N2O2S2/c1-4-17-21(18,19)10-9-16-12(3)15-11(2)13-7-5-6-8-14(13)20-15/h5-8,12,16-17H,4,9-10H2,1-3H3
InChIKeyKDCQESJQTHMHPE-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
CID 43760500
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine
CID 63450474
1-(3-methyl-1-benzothiophen-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63332721
4-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]pentan-2-ol
CID 104578742
N'-cyclopropyl-N'-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 62975731
2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide
CID 106171394
1-(3-methyl-1-benzothiophen-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004429
N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide
CID 115356215
2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901958
3-methyl-4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 66091326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide (CID 106334491) is N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide is CCNS(=O)(=O)CCNC(C)c1sc2ccccc2c1C.
What is the InChIKey of N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide?
The InChIKey is KDCQESJQTHMHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-4-17-21(18,19)10-9-16-12(3)15-11(2)13-7-5-6-8-14(13)20-15/h5-8,12,16-17H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide?
N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide has a molecular weight of 326.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 106334491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).