1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine

C11H17NO2S2 — CID 65020401

IUPAC1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO2S2/c12-11(2-1-9-3-5-15-7-9)10-4-6-16(13,14)8-10/h3,5,7,10-11H,1-2,4,6,8,12H2
InChIKeyYXSSDKHXZJCFGJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.44
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine

1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 65020401) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID65020401
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO2S2/c12-11(2-1-9-3-5-15-7-9)10-4-6-16(13,14)8-10/h3,5,7,10-11H,1-2,4,6,8,12H2
InChIKeyYXSSDKHXZJCFGJ-UHFFFAOYSA-N
XLogP1.44
TPSA60.16 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine
CID 64905789
3-(1-bromo-3-thiophen-3-ylpropan-2-yl)thiolane 1,1-dioxide
CID 66050392
1-(2,3-dihydro-1H-inden-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65409928
1-(1,1-dioxothiolan-3-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 105147931
1-(4-propylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 65423572
1-(6-bicyclo[3.1.0]hexanyl)-3-thiophen-3-ylpropan-1-amine
CID 115856867
N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
CID 62528250
1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626558
2-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 64906416
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
1-(2,2-dimethylcyclopentyl)-3-thiophen-3-ylpropan-1-amine
CID 107188789

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine (CID 65020401) is 1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine is NC(CCc1ccsc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is YXSSDKHXZJCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c12-11(2-1-9-3-5-15-7-9)10-4-6-16(13,14)8-10/h3,5,7,10-11H,1-2,4,6,8,12H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine?
1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 1.44, 4 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)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 65020401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).