1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine

C15H16ClNO2S2 — CID 115478382

IUPAC1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine
SMILESCC(N)C(Sc1ccc2c(c1)OCCO2)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO2S2/c1-9(17)15(13-4-5-14(16)21-13)20-10-2-3-11-12(8-10)19-7-6-18-11/h2-5,8-9,15H,6-7,17H2,1H3
InChIKeyJEANNPSNFJMAGT-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.35
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine

1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine (PubChem CID 115478382) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine
PubChem CID115478382
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.89 g/mol
Exact Mass341.03
IUPAC Name1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine
SMILESCC(N)C(Sc1ccc2c(c1)OCCO2)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO2S2/c1-9(17)15(13-4-5-14(16)21-13)20-10-2-3-11-12(8-10)19-7-6-18-11/h2-5,8-9,15H,6-7,17H2,1H3
InChIKeyJEANNPSNFJMAGT-UHFFFAOYSA-N
XLogP4.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine with MolForge

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Related Compounds

1-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine
CID 115478400
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-4,4-dimethylpentan-2-amine
CID 115478401
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)butan-2-amine
CID 63537073
1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65038348
5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739393
1,3-benzodioxol-5-yl-(5-chlorothiophen-2-yl)methanamine
CID 43114603
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]ethanamine
CID 115478528
2-(5-bromothiophen-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamine
CID 115478346
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]ethanamine
CID 115478517
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(5-methylthiophen-2-yl)ethanamine
CID 115479752
2-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamine
CID 115478385

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine (CID 115478382) is 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine is CC(N)C(Sc1ccc2c(c1)OCCO2)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine?
The InChIKey is JEANNPSNFJMAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c1-9(17)15(13-4-5-14(16)21-13)20-10-2-3-11-12(8-10)19-7-6-18-11/h2-5,8-9,15H,6-7,17H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine?
1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine has a molecular weight of 341.89 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 115478382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).