N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide

C13H20N4O2S2 — CID 103917729

IUPACN-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(c1cccs1)c1nccn1C
InChIInChI=1S/C13H20N4O2S2/c1-3-16-21(18,19)10-7-14-12(11-5-4-9-20-11)13-15-6-8-17(13)2/h4-6,8-9,12,14,16H,3,7,10H2,1-2H3
InChIKeyQSQQTBYVBDRELK-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.10
Rot. Bonds8

About N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide

N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide (PubChem CID 103917729) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide
PubChem CID103917729
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(c1cccs1)c1nccn1C
InChIInChI=1S/C13H20N4O2S2/c1-3-16-21(18,19)10-7-14-12(11-5-4-9-20-11)13-15-6-8-17(13)2/h4-6,8-9,12,14,16H,3,7,10H2,1-2H3
InChIKeyQSQQTBYVBDRELK-UHFFFAOYSA-N
XLogP1.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
N',N'-diethyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,3-diamine
CID 43763148
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
ethyl 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butanoate
CID 64578919
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
CID 103917506
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103917710
N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 61318763
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide (CID 103917729) is N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide is CCNS(=O)(=O)CCNC(c1cccs1)c1nccn1C.
What is the InChIKey of N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide?
The InChIKey is QSQQTBYVBDRELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-3-16-21(18,19)10-7-14-12(11-5-4-9-20-11)13-15-6-8-17(13)2/h4-6,8-9,12,14,16H,3,7,10H2,1-2H3.
What are the key properties of N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide?
N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide is sourced from PubChem (CID 103917729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).