1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide

C14H18FNO3S2 — CID 154801983

IUPAC1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H](NC(=O)C2(CCF)CC2)c2ccsc2S1(=O)=O
InChIInChI=1S/C14H18FNO3S2/c1-9-8-11(10-2-7-20-12(10)21(9,18)19)16-13(17)14(3-4-14)5-6-15/h2,7,9,11H,3-6,8H2,1H3,(H,16,17)/t9-,11-/m0/s1
InChIKeyDIXZCHMLSSMLDQ-ONGXEEELSA-N
MW331.43 g/mol
LogP2.61
Rot. Bonds4

About 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide

1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide (PubChem CID 154801983) has the molecular formula C14H18FNO3S2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide
PubChem CID154801983
Molecular FormulaC14H18FNO3S2
Molecular Weight331.43 g/mol
Exact Mass331.07
IUPAC Name1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H](NC(=O)C2(CCF)CC2)c2ccsc2S1(=O)=O
InChIInChI=1S/C14H18FNO3S2/c1-9-8-11(10-2-7-20-12(10)21(9,18)19)16-13(17)14(3-4-14)5-6-15/h2,7,9,11H,3-6,8H2,1H3,(H,16,17)/t9-,11-/m0/s1
InChIKeyDIXZCHMLSSMLDQ-ONGXEEELSA-N
XLogP2.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 154801340
5-methyl-1-[[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122123907
1-(2-fluoroethyl)-N-methylcyclopropane-1-carboxamide
CID 126985970
N-[(4R,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
CID 10065740
methyl 2-[3-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate;hydrochloride
CID 120937014
N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 21057027
N-methyl-4-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)methyl]benzamide
CID 86795207
N-(6-ethyl-7-oxido-4,5,6,7-tetrahydrothieno[2,3-b]pyridin-7-ium-4-yl)-2,2,2-trifluoroacetamide
CID 22901907
1-(7,7-dimethyl-5,6-dihydro-4H-1-benzothiophen-4-yl)-3-methylurea
CID 54068767
6-fluoro-2-methyl-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539052
3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)butanoic acid
CID 62842841
(Z)-but-2-enedioic acid;(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 171380830

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide (CID 154801983) is 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide is C[C@H]1C[C@H](NC(=O)C2(CCF)CC2)c2ccsc2S1(=O)=O.
What is the InChIKey of 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide?
The InChIKey is DIXZCHMLSSMLDQ-ONGXEEELSA-N. The full InChI is InChI=1S/C14H18FNO3S2/c1-9-8-11(10-2-7-20-12(10)21(9,18)19)16-13(17)14(3-4-14)5-6-15/h2,7,9,11H,3-6,8H2,1H3,(H,16,17)/t9-,11-/m0/s1.
What are the key properties of 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide?
1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide has a molecular weight of 331.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 154801983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).