N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

C10H15N3O5S3 — CID 41063797

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C10H15N3O5S3/c1-20(15,16)13-10-12-8(5-19-10)4-9(14)11-7-2-3-21(17,18)6-7/h5,7H,2-4,6H2,1H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKeyNERRVYIJDBMLGA-SSDOTTSWSA-N
MW353.45 g/mol
LogP-0.64
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (PubChem CID 41063797) has the molecular formula C10H15N3O5S3 and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
PubChem CID41063797
Molecular FormulaC10H15N3O5S3
Molecular Weight353.45 g/mol
Exact Mass353.02
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C10H15N3O5S3/c1-20(15,16)13-10-12-8(5-19-10)4-9(14)11-7-2-3-21(17,18)6-7/h5,7H,2-4,6H2,1H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKeyNERRVYIJDBMLGA-SSDOTTSWSA-N
XLogP-0.64
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830480
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
CID 96564072
N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46558909
3-(2-amino-1,3-thiazol-4-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110330131
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 51929410
N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 60716435
3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669
N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771301
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 93041415
N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 112674449
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815676
N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 79029892

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (CID 41063797) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is CS(=O)(=O)Nc1nc(CC(=O)N[C@@H]2CCS(=O)(=O)C2)cs1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NERRVYIJDBMLGA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O5S3/c1-20(15,16)13-10-12-8(5-19-10)4-9(14)11-7-2-3-21(17,18)6-7/h5,7H,2-4,6H2,1H3,(H,11,14)(H,12,13)/t7-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide has a molecular weight of 353.45 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 41063797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).