N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine

C11H17NO2S2 — CID 64904958

IUPACN-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO2S2/c1-2-12-11(10-4-3-6-15-10)9-5-7-16(13,14)8-9/h3-4,6,9,11-12H,2,5,7-8H2,1H3
InChIKeyGJDYQSULOQBVKT-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.83
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine

N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 64904958) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine
PubChem CID64904958
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC NameN-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO2S2/c1-2-12-11(10-4-3-6-15-10)9-5-7-16(13,14)8-9/h3-4,6,9,11-12H,2,5,7-8H2,1H3
InChIKeyGJDYQSULOQBVKT-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine with MolForge

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Related Compounds

N-[(5-bromothiophen-2-yl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 64905985
N-[(1,1-dioxothiolan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 115336829
N-[1-benzothiophen-3-yl-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 64905569
N-[(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 79978095
N-[(2,3-difluoro-4-methylphenyl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 107513726
N-[(1,1-dioxothiolan-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 61057423
N-[(1,1-dioxothiolan-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 115336884
N-[(1,1-dioxothiolan-3-yl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 64905159
N-[(1,1-dioxothiolan-3-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102833570
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[(3-bromo-4-chlorophenyl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 83230319
N-[(2-bromo-5-chlorophenyl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 66161077

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine (CID 64904958) is N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is GJDYQSULOQBVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-2-12-11(10-4-3-6-15-10)9-5-7-16(13,14)8-9/h3-4,6,9,11-12H,2,5,7-8H2,1H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine?
N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 259.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 64904958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).