1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine

C15H25NO2S2 — CID 115857152

IUPAC1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)C1CCCCS1(=O)=O
InChIInChI=1S/C15H25NO2S2/c1-2-9-16-14(7-6-13-8-10-19-12-13)15-5-3-4-11-20(15,17)18/h8,10,12,14-16H,2-7,9,11H2,1H3
InChIKeyMJSDFISWLRCCJJ-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.02
Rot. Bonds7

About 1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine

1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 115857152) has the molecular formula C15H25NO2S2 and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID115857152
Molecular FormulaC15H25NO2S2
Molecular Weight315.50 g/mol
Exact Mass315.13
IUPAC Name1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)C1CCCCS1(=O)=O
InChIInChI=1S/C15H25NO2S2/c1-2-9-16-14(7-6-13-8-10-19-12-13)15-5-3-4-11-20(15,17)18/h8,10,12,14-16H,2-7,9,11H2,1H3
InChIKeyMJSDFISWLRCCJJ-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 65392242
1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107188788
1-(1,1-dioxothian-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820861
N-[1-(1,1-dioxothian-2-yl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115864313
1-(1,1-dioxothian-2-yl)-N-propylpent-4-yn-1-amine
CID 115859512
1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115856935
1-(1,1-dioxothian-2-yl)-N-propylhex-4-yn-1-amine
CID 105037491
N-[(1,1-dioxothian-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 113422005
N-[1-(1,1-dioxothian-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 104520163
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105151192

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 115857152) is 1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNC(CCc1ccsc1)C1CCCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is MJSDFISWLRCCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S2/c1-2-9-16-14(7-6-13-8-10-19-12-13)15-5-3-4-11-20(15,17)18/h8,10,12,14-16H,2-7,9,11H2,1H3.
What are the key properties of 1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 315.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115857152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).