1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine

C10H15NO2S2 — CID 64905789

IUPAC1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine
SMILESNC(Cc1ccsc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO2S2/c11-10(5-8-1-3-14-6-8)9-2-4-15(12,13)7-9/h1,3,6,9-10H,2,4-5,7,11H2
InChIKeyWYNFMTYQVQPSEW-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.05
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine

1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine (PubChem CID 64905789) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine
PubChem CID64905789
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine
SMILESNC(Cc1ccsc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO2S2/c11-10(5-8-1-3-14-6-8)9-2-4-15(12,13)7-9/h1,3,6,9-10H,2,4-5,7,11H2
InChIKeyWYNFMTYQVQPSEW-UHFFFAOYSA-N
XLogP1.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 65020401
3-(1-bromo-3-thiophen-3-ylpropan-2-yl)thiolane 1,1-dioxide
CID 66050392
2-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 64906416
N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
CID 62528250
2-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 64905184
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105137616
1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine
CID 64905999
N-[(1,1-dioxothiolan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 115336829
2-(2-chloro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 106867239
2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020242
3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
CID 83155210
1-(oxolan-2-yl)-2-thiophen-3-ylethanamine
CID 61080120

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine (CID 64905789) is 1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine is NC(Cc1ccsc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine?
The InChIKey is WYNFMTYQVQPSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c11-10(5-8-1-3-14-6-8)9-2-4-15(12,13)7-9/h1,3,6,9-10H,2,4-5,7,11H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine?
1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine has a molecular weight of 245.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 64905789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).