N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine

C15H25NO2S2 — CID 62528250

IUPACN-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccsc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H25NO2S2/c1-12(2)8-16-9-15(7-13-3-5-19-10-13)14-4-6-20(17,18)11-14/h3,5,10,12,14-16H,4,6-9,11H2,1-2H3
InChIKeyBFNRGGDOWCSKNE-UHFFFAOYSA-N
MW315.50 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine

N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine (PubChem CID 62528250) has the molecular formula C15H25NO2S2 and a molecular weight of 315.50 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
PubChem CID62528250
Molecular FormulaC15H25NO2S2
Molecular Weight315.50 g/mol
Exact Mass315.13
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccsc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H25NO2S2/c1-12(2)8-16-9-15(7-13-3-5-19-10-13)14-4-6-20(17,18)11-14/h3,5,10,12,14-16H,4,6-9,11H2,1-2H3
InChIKeyBFNRGGDOWCSKNE-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-bromo-3-thiophen-3-ylpropan-2-yl)thiolane 1,1-dioxide
CID 66050392
1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine
CID 64905789
2-(1,1-dioxothiolan-3-yl)-3-(4-methylphenyl)-N-propylpropan-1-amine
CID 62529446
2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine
CID 62530439
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105137616
2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine
CID 63195777
3-(3,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)-N-ethylpropan-1-amine
CID 62529445
1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 65020401
2-(1,1-dioxothiolan-3-yl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 62529651
2-(1,1-dioxothiolan-3-yl)-4-(2-methylpropylamino)butan-1-ol
CID 165476580
2-cyclopentyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 112569789
2-(1,1-dioxothiolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 62529848

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine (CID 62528250) is N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1ccsc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine?
The InChIKey is BFNRGGDOWCSKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S2/c1-12(2)8-16-9-15(7-13-3-5-19-10-13)14-4-6-20(17,18)11-14/h3,5,10,12,14-16H,4,6-9,11H2,1-2H3.
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine?
N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine has a molecular weight of 315.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62528250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).