(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide

C10H16N2O3S3 — CID 9373086

IUPAC(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@H](SC1=NCCS1)C(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O3S3/c1-7(17-10-11-3-4-16-10)9(13)12-8-2-5-18(14,15)6-8/h7-8H,2-6H2,1H3,(H,12,13)/t7-,8-/m0/s1
InChIKeyLEYMOMFEJXFIFB-YUMQZZPRSA-N
MW308.45 g/mol
LogP0.51
Rot. Bonds3

About (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide

(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide (PubChem CID 9373086) has the molecular formula C10H16N2O3S3 and a molecular weight of 308.45 g/mol. Its IUPAC name is (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
PubChem CID9373086
Molecular FormulaC10H16N2O3S3
Molecular Weight308.45 g/mol
Exact Mass308.03
IUPAC Name(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@H](SC1=NCCS1)C(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O3S3/c1-7(17-10-11-3-4-16-10)9(13)12-8-2-5-18(14,15)6-8/h7-8H,2-6H2,1H3,(H,12,13)/t7-,8-/m0/s1
InChIKeyLEYMOMFEJXFIFB-YUMQZZPRSA-N
XLogP0.51
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 9373085
N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 47119544
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735059
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735062
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8939739
2-(4-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 51073679
N-(1,1-dioxothiolan-3-yl)-2-ethylsulfanylpropanamide
CID 47135984
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9378540
(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 9379326
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
CID 9373279
[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate
CID 9373280
2-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 24505566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The IUPAC name of (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide (CID 9373086) is (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The canonical SMILES for (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide is C[C@H](SC1=NCCS1)C(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The InChIKey is LEYMOMFEJXFIFB-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16N2O3S3/c1-7(17-10-11-3-4-16-10)9(13)12-8-2-5-18(14,15)6-8/h7-8H,2-6H2,1H3,(H,12,13)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide has a molecular weight of 308.45 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide is sourced from PubChem (CID 9373086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).