4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide

C10H16N2O3S3 — CID 67795791

IUPAC4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCC(O)CNC1CCSc2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C10H16N2O3S3/c1-6(13)5-12-8-2-3-16-10-7(8)4-9(17-10)18(11,14)15/h4,6,8,12-13H,2-3,5H2,1H3,(H2,11,14,15)
InChIKeyMRBYKDOXUXSTRI-UHFFFAOYSA-N
MW308.45 g/mol
LogP0.90
Rot. Bonds4

About 4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide

4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 67795791) has the molecular formula C10H16N2O3S3 and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID67795791
Molecular FormulaC10H16N2O3S3
Molecular Weight308.45 g/mol
Exact Mass308.03
IUPAC Name4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCC(O)CNC1CCSc2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C10H16N2O3S3/c1-6(13)5-12-8-2-3-16-10-7(8)4-9(17-10)18(11,14)15/h4,6,8,12-13H,2-3,5H2,1H3,(H2,11,14,15)
InChIKeyMRBYKDOXUXSTRI-UHFFFAOYSA-N
XLogP0.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (CID 67795791) is 4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is CC(O)CNC1CCSc2sc(S(N)(=O)=O)cc21.
What is the InChIKey of 4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is MRBYKDOXUXSTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S3/c1-6(13)5-12-8-2-3-16-10-7(8)4-9(17-10)18(11,14)15/h4,6,8,12-13H,2-3,5H2,1H3,(H2,11,14,15).
What are the key properties of 4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 67795791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).