3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine

C10H13NO2S3 — CID 115848689

IUPAC3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1cc2sccc2s1
InChIInChI=1S/C10H13NO2S3/c1-16(12,13)5-3-7(11)9-6-10-8(15-9)2-4-14-10/h2,4,6-7H,3,5,11H2,1H3
InChIKeyDMTZQLKDRUNYEA-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.40
Rot. Bonds4

About 3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine

3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine (PubChem CID 115848689) has the molecular formula C10H13NO2S3 and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
PubChem CID115848689
Molecular FormulaC10H13NO2S3
Molecular Weight275.42 g/mol
Exact Mass275.01
IUPAC Name3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1cc2sccc2s1
InChIInChI=1S/C10H13NO2S3/c1-16(12,13)5-3-7(11)9-6-10-8(15-9)2-4-14-10/h2,4,6-7H,3,5,11H2,1H3
InChIKeyDMTZQLKDRUNYEA-UHFFFAOYSA-N
XLogP2.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104986246
4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 115850208
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032
4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104992946
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209
3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115864800
2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105015351
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115830695
2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80733712
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The IUPAC name of 3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine (CID 115848689) is 3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The canonical SMILES for 3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine is CS(=O)(=O)CCC(N)c1cc2sccc2s1.
What is the InChIKey of 3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The InChIKey is DMTZQLKDRUNYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S3/c1-16(12,13)5-3-7(11)9-6-10-8(15-9)2-4-14-10/h2,4,6-7H,3,5,11H2,1H3.
What are the key properties of 3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine is sourced from PubChem (CID 115848689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).