N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C8H15NO3S — CID 7452402

IUPACN-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(=O)N(C)[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-7(10)9(3)8(2)4-5-13(11,12)6-8/h4-6H2,1-3H3/t8-/m1/s1
InChIKeyGXBXAQMVTYHWPU-MRVPVSSYSA-N
MW205.28 g/mol
LogP0.04
Rot. Bonds1

About N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7452402) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7452402
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(=O)N(C)[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-7(10)9(3)8(2)4-5-13(11,12)6-8/h4-6H2,1-3H3/t8-/m1/s1
InChIKeyGXBXAQMVTYHWPU-MRVPVSSYSA-N
XLogP0.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-4-nitrobenzamide
CID 7260205
1-methyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylurea
CID 3155089
3-(4-methoxyphenyl)-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)prop-2-enamide
CID 71962632
3-(dimethylsulfamoyl)-N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
CID 7260227
N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2941035
(3R)-3-methyl-1,1-dioxothiolan-3-ol
CID 95023797
2-chloro-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-N-prop-2-enylacetamide
CID 99976512
N-(3-methyl-1,1-dioxothiolan-3-yl)-N-prop-2-enylformamide
CID 102566594
barium(2+);bis(N-(3-methyl-1,1-dioxothiolan-3-yl)-N-prop-2-enylcarbamodithioate)
CID 24940456
calcium bis(N-butyl-N-(3-methyl-1,1-dioxothiolan-3-yl)carbamodithioate)
CID 24940465
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
CID 7059068
1,1-dimethyl-3-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 7178379

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 7452402) is N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is CC(=O)N(C)[C@]1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is GXBXAQMVTYHWPU-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-7(10)9(3)8(2)4-5-13(11,12)6-8/h4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 205.28 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7452402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).