N-[(1,1-dioxothian-4-yl)methyl]acetamide

C8H15NO3S — CID 123547198

IUPACN-[(1,1-dioxothian-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO3S/c1-7(10)9-6-8-2-4-13(11,12)5-3-8/h8H,2-6H2,1H3,(H,9,10)
InChIKeyZYQXYUQKQBJDIS-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.05
Rot. Bonds2

About N-[(1,1-dioxothian-4-yl)methyl]acetamide

N-[(1,1-dioxothian-4-yl)methyl]acetamide (PubChem CID 123547198) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[(1,1-dioxothian-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1,1-dioxothian-4-yl)methyl]acetamide
PubChem CID123547198
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-[(1,1-dioxothian-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO3S/c1-7(10)9-6-8-2-4-13(11,12)5-3-8/h8H,2-6H2,1H3,(H,9,10)
InChIKeyZYQXYUQKQBJDIS-UHFFFAOYSA-N
XLogP-0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylthio)-N-((1-(methylsulfonyl)piperidin-4-yl)methyl)acetamide
CID 71806285
N-[(4-methyl-1,1-dioxothian-4-yl)methyl]-3-sulfanylpropanamide
CID 177681351
N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,2-trifluoroacetamide
CID 163828197
N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide
CID 163828198
N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3-tetrafluorobutanamide
CID 163828199
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)pivalamide
CID 47157030
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)isobutyramide
CID 49724748
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)acetamide
CID 49725406
N-(1,1-dioxothian-4-yl)acetamide
CID 58356106
2-ethylsulfonyl-N-(2-methylpropyl)acetamide
CID 59432773
5-Tert-butyl-1,1-dioxo-1,4-thiazinan-3-one
CID 60010704
4-butylsulfonyl-N-methylpiperidine-4-carboxamide
CID 60102904

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]acetamide?
The IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]acetamide (CID 123547198) is N-[(1,1-dioxothian-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1,1-dioxothian-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1,1-dioxothian-4-yl)methyl]acetamide is CC(=O)NCC1CCS(=O)(=O)CC1.
What is the InChIKey of N-[(1,1-dioxothian-4-yl)methyl]acetamide?
The InChIKey is ZYQXYUQKQBJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-7(10)9-6-8-2-4-13(11,12)5-3-8/h8H,2-6H2,1H3,(H,9,10).
What are the key properties of N-[(1,1-dioxothian-4-yl)methyl]acetamide?
N-[(1,1-dioxothian-4-yl)methyl]acetamide has a molecular weight of 205.28 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothian-4-yl)methyl]acetamide is sourced from PubChem (CID 123547198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).