(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide

C10H16N2O4S3 — CID 91973858

IUPAC(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide
SMILESCCN[C@H]1C=C(S(N)(=O)=O)SC2=C1C[C@H](C)S2(=O)=O
InChIInChI=1S/C10H16N2O4S3/c1-3-12-8-5-9(19(11,15)16)17-10-7(8)4-6(2)18(10,13)14/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
InChIKeyMFCYVWOEIYVCJA-XPUUQOCRSA-N
MW324.45 g/mol
LogP0.26
Rot. Bonds3

About (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide

(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide (PubChem CID 91973858) has the molecular formula C10H16N2O4S3 and a molecular weight of 324.45 g/mol. Its IUPAC name is (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide.

Molecular Properties

Compound Name(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide
PubChem CID91973858
Molecular FormulaC10H16N2O4S3
Molecular Weight324.45 g/mol
Exact Mass324.03
IUPAC Name(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide
SMILESCCN[C@H]1C=C(S(N)(=O)=O)SC2=C1C[C@H](C)S2(=O)=O
InChIInChI=1S/C10H16N2O4S3/c1-3-12-8-5-9(19(11,15)16)17-10-7(8)4-6(2)18(10,13)14/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
InChIKeyMFCYVWOEIYVCJA-XPUUQOCRSA-N
XLogP0.26
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide
CID 146163298
(4S,6S)-4-(Ethylamino)-6-methyl-7,7-dioxo-4,5,6,7a-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 24870935
(4S,6S)-4-(ethylamino)-6-methyl-1,7,7-trioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 68990769
(4S,6S)-4-(ethylamino)-6-methyl-1,1-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 69713443
4-(ethylamino)-6-methyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 78183457
(2S,4S)-4-(ethylamino)-N,2-dimethyl-1,1-dioxo-7-sulfanylidene-3,4-dihydro-2H-cyclopenta[b]thiopyran-6-sulfonamide
CID 89060388
4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 90806174
1-[[4-(1,1-dihydroxyethylamino)-2,5-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-6-yl]sulfanyl]ethenesulfonamide
CID 91131851
4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
CID 123228065
5-(Ethylamino)-7-methyl-8,8-dioxo-4,5,6,7-tetrahydrothiopyrano[2,3-b]thiopyran-2-sulfonamide
CID 123446376
4-(Ethylamino)-1,1,6-trimethyl-7,7-dioxo-1-propyl-3,4,5,6-tetrahydrothieno[2,3-b]thiopyran-2-sulfonamide
CID 123660742
4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
CID 140996252

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide?
The IUPAC name of (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide (CID 91973858) is (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide.
What is the SMILES notation for (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide?
The canonical SMILES for (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide is CCN[C@H]1C=C(S(N)(=O)=O)SC2=C1C[C@H](C)S2(=O)=O.
What is the InChIKey of (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide?
The InChIKey is MFCYVWOEIYVCJA-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H16N2O4S3/c1-3-12-8-5-9(19(11,15)16)17-10-7(8)4-6(2)18(10,13)14/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1.
What are the key properties of (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide?
(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide is sourced from PubChem (CID 91973858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).