N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C11H16N2O5S3 — CID 30789083

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C11H16N2O5S3/c1-13(21(17,18)11-3-2-5-19-11)7-10(14)12-9-4-6-20(15,16)8-9/h2-3,5,9H,4,6-8H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyFLBLRDIKMYXYPQ-VIFPVBQESA-N
MW352.46 g/mol
LogP-0.33
Rot. Bonds5

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 30789083) has the molecular formula C11H16N2O5S3 and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID30789083
Molecular FormulaC11H16N2O5S3
Molecular Weight352.46 g/mol
Exact Mass352.02
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C11H16N2O5S3/c1-13(21(17,18)11-3-2-5-19-11)7-10(14)12-9-4-6-20(15,16)8-9/h2-3,5,9H,4,6-8H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyFLBLRDIKMYXYPQ-VIFPVBQESA-N
XLogP-0.33
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42961132
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18165137
N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 113153702
2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid
CID 62696486
N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 52909094
N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 52909093
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51170978
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128278
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 30789083) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is FLBLRDIKMYXYPQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O5S3/c1-13(21(17,18)11-3-2-5-19-11)7-10(14)12-9-4-6-20(15,16)8-9/h2-3,5,9H,4,6-8H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 352.46 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 30789083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).