1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine

C12H20N2O2S3 — CID 66382366

IUPAC1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)C(c1ccsc1)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H20N2O2S3/c1-9(13)12(10-3-5-17-7-10)14-4-6-18-8-11(14)19(2,15)16/h3,5,7,9,11-12H,4,6,8,13H2,1-2H3
InChIKeyWTAAEMRAJCYXJK-UHFFFAOYSA-N
MW320.50 g/mol
LogP1.56
Rot. Bonds4

About 1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine

1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine (PubChem CID 66382366) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.50 g/mol. Its IUPAC name is 1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine
PubChem CID66382366
Molecular FormulaC12H20N2O2S3
Molecular Weight320.50 g/mol
Exact Mass320.07
IUPAC Name1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(N)C(c1ccsc1)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H20N2O2S3/c1-9(13)12(10-3-5-17-7-10)14-4-6-18-8-11(14)19(2,15)16/h3,5,7,9,11-12H,4,6,8,13H2,1-2H3
InChIKeyWTAAEMRAJCYXJK-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dorzolamide
CID 5284549
Sezolamide
CID 60693
4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide
CID 3154
(4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 92087
(4R,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 6604453
Trans-5,6-dihydro-4-ethylamino-6-(n-propyl)-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
CID 9863339
(4S,6R)-6-ethyl-4-(ethylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266117
ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]azanium
CID 36688115
(6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44390002
(4S,6S)-6-ethyl-4-(ethylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266037
(4S,6R)-4-(ethylamino)-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266090
7,7-dioxo-4-(propylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
CID 13911610

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine (CID 66382366) is 1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine is CC(N)C(c1ccsc1)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is WTAAEMRAJCYXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-9(13)12(10-3-5-17-7-10)14-4-6-18-8-11(14)19(2,15)16/h3,5,7,9,11-12H,4,6,8,13H2,1-2H3.
What are the key properties of 1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine?
1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 320.50 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylthiomorpholin-4-yl)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 66382366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).