(2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide

C11H18N2O4S2 — CID 146163298

IUPAC(2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide
SMILESCCN[C@@H]1C[C@@H](C)S(=O)(=O)C2=C1C=C(S(N)(=O)=O)C2
InChIInChI=1S/C11H18N2O4S2/c1-3-13-10-4-7(2)18(14,15)11-6-8(5-9(10)11)19(12,16)17/h5,7,10,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t7-,10-/m1/s1
InChIKeyKIJSEXPYVMXVIQ-GMSGAONNSA-N
MW306.41 g/mol
LogP0.00
Rot. Bonds3

About (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide

(2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide (PubChem CID 146163298) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide.

Molecular Properties

Compound Name(2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide
PubChem CID146163298
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name(2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide
SMILESCCN[C@@H]1C[C@@H](C)S(=O)(=O)C2=C1C=C(S(N)(=O)=O)C2
InChIInChI=1S/C11H18N2O4S2/c1-3-13-10-4-7(2)18(14,15)11-6-8(5-9(10)11)19(12,16)17/h5,7,10,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t7-,10-/m1/s1
InChIKeyKIJSEXPYVMXVIQ-GMSGAONNSA-N
XLogP0.00
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide with MolForge

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Related Compounds

(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
(6S)-4-(ethylamino)-6-methyl-7,7-dioxo-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 87513858
4-(ethylamino)-6-methyl-7,7-dioxo-4,7a-dihydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
CID 87681209
(4S)-4-(ethylamino)-6-methyl-7,7-dioxo-4,7a-dihydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
CID 87683168
(2S,4S)-4-(ethylamino)-N,2-dimethyl-1,1-dioxo-7-sulfanylidene-3,4-dihydro-2H-cyclopenta[b]thiopyran-6-sulfonamide
CID 89060388
N-ethyl-2-ethylidene-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-1-ium-4-amine
CID 90734453
(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide
CID 91973858
4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
CID 140996252
N-[2-(4-methylcyclohexa-1,3-dien-1-yl)sulfonylethyl]butan-1-amine
CID 143091925
4-(Ethylamino)-6-methyl-7,7-dioxo-1,1a,4,5,6,7b-hexahydrocyclopropa[h]thiochromene-2-sulfinate
CID 147261828

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide?
The IUPAC name of (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide (CID 146163298) is (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide.
What is the SMILES notation for (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide?
The canonical SMILES for (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide is CCN[C@@H]1C[C@@H](C)S(=O)(=O)C2=C1C=C(S(N)(=O)=O)C2.
What is the InChIKey of (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide?
The InChIKey is KIJSEXPYVMXVIQ-GMSGAONNSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-3-13-10-4-7(2)18(14,15)11-6-8(5-9(10)11)19(12,16)17/h5,7,10,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t7-,10-/m1/s1.
What are the key properties of (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide?
(2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide has a molecular weight of 306.41 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2,3,4,7-tetrahydrocyclopenta[b]thiopyran-6-sulfonamide is sourced from PubChem (CID 146163298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).