4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride

C10H17ClN2O2S3 — CID 140996252

IUPAC4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
SMILESCCNC1C=C(C)SC2=C1CC(S(N)(=O)=O)S2.Cl
InChIInChI=1S/C10H16N2O2S3.ClH/c1-3-12-8-4-6(2)15-10-7(8)5-9(16-10)17(11,13)14;/h4,8-9,12H,3,5H2,1-2H3,(H2,11,13,14);1H
InChIKeyJDNJOHFVPOJFOU-UHFFFAOYSA-N
MW328.91 g/mol
LogP2.00
Rot. Bonds3

About 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride

4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride (PubChem CID 140996252) has the molecular formula C10H17ClN2O2S3 and a molecular weight of 328.91 g/mol. Its IUPAC name is 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
PubChem CID140996252
Molecular FormulaC10H17ClN2O2S3
Molecular Weight328.91 g/mol
Exact Mass328.01
IUPAC Name4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
SMILESCCNC1C=C(C)SC2=C1CC(S(N)(=O)=O)S2.Cl
InChIInChI=1S/C10H16N2O2S3.ClH/c1-3-12-8-4-6(2)15-10-7(8)5-9(16-10)17(11,13)14;/h4,8-9,12H,3,5H2,1-2H3,(H2,11,13,14);1H
InChIKeyJDNJOHFVPOJFOU-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride with MolForge

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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-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
6-(2-ethoxyethyl)-4-(ethylamino)-7,7-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 88446733
(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
1-[[(2S,4S)-4-(ethylamino)-2,5-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-6-yl]sulfanyl]ethenesulfonamide
CID 148226261
7,7-dioxo-4-(propan-2-ylamino)-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 9818759

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride?
The IUPAC name of 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride (CID 140996252) is 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride.
What is the SMILES notation for 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride?
The canonical SMILES for 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride is CCNC1C=C(C)SC2=C1CC(S(N)(=O)=O)S2.Cl.
What is the InChIKey of 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride?
The InChIKey is JDNJOHFVPOJFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S3.ClH/c1-3-12-8-4-6(2)15-10-7(8)5-9(16-10)17(11,13)14;/h4,8-9,12H,3,5H2,1-2H3,(H2,11,13,14);1H.
What are the key properties of 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride?
4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-methyl-3,4-dihydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride is sourced from PubChem (CID 140996252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).