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

C9H14N2O3S3 — CID 19894288

IUPAC4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)SCCC2NCCO
InChIInChI=1S/C9H14N2O3S3/c10-17(13,14)8-5-6-7(11-2-3-12)1-4-15-9(6)16-8/h5,7,11-12H,1-4H2,(H2,10,13,14)
InChIKeyQUOJVMGJGGYQBB-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.51
Rot. Bonds4

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

4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 19894288) has the molecular formula C9H14N2O3S3 and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID19894288
Molecular FormulaC9H14N2O3S3
Molecular Weight294.42 g/mol
Exact Mass294.02
IUPAC Name4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)SCCC2NCCO
InChIInChI=1S/C9H14N2O3S3/c10-17(13,14)8-5-6-7(11-2-3-12)1-4-15-9(6)16-8/h5,7,11-12H,1-4H2,(H2,10,13,14)
InChIKeyQUOJVMGJGGYQBB-UHFFFAOYSA-N
XLogP0.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (CID 19894288) is 4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is NS(=O)(=O)c1cc2c(s1)SCCC2NCCO.
What is the InChIKey of 4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is QUOJVMGJGGYQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S3/c10-17(13,14)8-5-6-7(11-2-3-12)1-4-15-9(6)16-8/h5,7,11-12H,1-4H2,(H2,10,13,14).
What are the key properties of 4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 19894288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).