[1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine

C10H15NO2S2 — CID 78992067

IUPAC[1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine
SMILESNCC1(Cc2ccsc2)CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO2S2/c11-7-10(2-4-15(12,13)8-10)5-9-1-3-14-6-9/h1,3,6H,2,4-5,7-8,11H2
InChIKeyCXOXDKVQBRRJQV-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.05
Rot. Bonds3

About [1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine

[1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine (PubChem CID 78992067) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is [1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine
PubChem CID78992067
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name[1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine
SMILESNCC1(Cc2ccsc2)CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO2S2/c11-7-10(2-4-15(12,13)8-10)5-9-1-3-14-6-9/h1,3,6H,2,4-5,7-8,11H2
InChIKeyCXOXDKVQBRRJQV-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

[3-[(4-bromophenyl)methyl]-1,1-dioxothiolan-3-yl]methanamine
CID 78992045
[1,1-dioxo-3-[[4-(trifluoromethyl)phenyl]methyl]thiolan-3-yl]methanamine
CID 78992078
[1,1-dioxo-3-(1,3-thiazol-2-ylmethyl)thiolan-3-yl]methanamine
CID 115337842
[1-(thiophen-3-ylmethyl)cyclopentyl]methanol
CID 66025022
1,1-dioxo-3-(2-thiophen-3-ylethyl)thiolane-3-carbonitrile
CID 115337642
[3-[(3-methoxy-5-nitrophenyl)methyl]-1,1-dioxothiolan-3-yl]methanamine
CID 115337812
thiophen-3-ylmethanamine;dihydrochloride
CID 21114568
[3-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 66059230
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine
CID 115337795
1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid
CID 66025291
[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 114534046
1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
CID 65377433

Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine?
The IUPAC name of [1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine (CID 78992067) is [1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine.
What is the SMILES notation for [1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine?
The canonical SMILES for [1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine is NCC1(Cc2ccsc2)CCS(=O)(=O)C1.
What is the InChIKey of [1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine?
The InChIKey is CXOXDKVQBRRJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c11-7-10(2-4-15(12,13)8-10)5-9-1-3-14-6-9/h1,3,6H,2,4-5,7-8,11H2.
What are the key properties of [1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine?
[1,1-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine 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-dioxo-3-(thiophen-3-ylmethyl)thiolan-3-yl]methanamine is sourced from PubChem (CID 78992067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).