N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide

C15H19N3O3S3 — CID 18123993

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
SMILESCCN(C(=O)C(C)Sc1ncnc2ccsc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O3S3/c1-3-18(11-5-7-24(20,21)8-11)15(19)10(2)23-14-13-12(4-6-22-13)16-9-17-14/h4,6,9-11H,3,5,7-8H2,1-2H3
InChIKeyQYZAEGHPFXHHDB-UHFFFAOYSA-N
MW385.54 g/mol
LogP2.21
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide (PubChem CID 18123993) has the molecular formula C15H19N3O3S3 and a molecular weight of 385.54 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
PubChem CID18123993
Molecular FormulaC15H19N3O3S3
Molecular Weight385.54 g/mol
Exact Mass385.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
SMILESCCN(C(=O)C(C)Sc1ncnc2ccsc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O3S3/c1-3-18(11-5-7-24(20,21)8-11)15(19)10(2)23-14-13-12(4-6-22-13)16-9-17-14/h4,6,9-11H,3,5,7-8H2,1-2H3
InChIKeyQYZAEGHPFXHHDB-UHFFFAOYSA-N
XLogP2.21
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123813
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123841
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46518661
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971689
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24562953
(2R)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
CID 41096835
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 26011811
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 45356111
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8939476
(2R)-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
CID 40795545
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 18129139

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide (CID 18123993) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide is CCN(C(=O)C(C)Sc1ncnc2ccsc12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is QYZAEGHPFXHHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S3/c1-3-18(11-5-7-24(20,21)8-11)15(19)10(2)23-14-13-12(4-6-22-13)16-9-17-14/h4,6,9-11H,3,5,7-8H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 385.54 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 18123993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).