N-(1,1-dioxothian-4-yl)acetamide

C7H13NO3S — CID 58356106

IUPACN-(1,1-dioxothian-4-yl)acetamide
SMILESCC(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13NO3S/c1-6(9)8-7-2-4-12(10,11)5-3-7/h7H,2-5H2,1H3,(H,8,9)
InChIKeyBEIPMRNCSTUCOW-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.30
Rot. Bonds1

About N-(1,1-dioxothian-4-yl)acetamide

N-(1,1-dioxothian-4-yl)acetamide (PubChem CID 58356106) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)acetamide
PubChem CID58356106
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC NameN-(1,1-dioxothian-4-yl)acetamide
SMILESCC(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13NO3S/c1-6(9)8-7-2-4-12(10,11)5-3-7/h7H,2-5H2,1H3,(H,8,9)
InChIKeyBEIPMRNCSTUCOW-UHFFFAOYSA-N
XLogP-0.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)acetamide
CID 237864
N-(thian-4-yl)acetamide
CID 58356101
N-(1,1-dioxothian-4-yl)-2,2,2-trifluoroacetamide
CID 62728040
N-(1,1-dioxothian-3-yl)-2,2,2-trifluoroacetamide
CID 64196149
N-(1,1-dioxothian-4-yl)-2,2-difluoroacetamide
CID 103515394
N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide
CID 103515515
2,2-difluoro-N-(1-oxothian-4-yl)acetamide
CID 103516053
2,2,2-trifluoro-N-(1-oxothian-4-yl)acetamide
CID 104580824
N-(1,1-dioxothian-4-yl)-2,2,3,3-tetrafluoropropanamide
CID 113250882
N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide
CID 113251069
N-(1,1-dioxothian-4-yl)-2,2,3,3,3-pentafluoropropanamide
CID 114038139
N-(1,1-dioxothian-3-yl)-2,2,3,3,3-pentafluoropropanamide
CID 114038162

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)acetamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)acetamide (CID 58356106) is N-(1,1-dioxothian-4-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)acetamide is CC(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)acetamide?
The InChIKey is BEIPMRNCSTUCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-6(9)8-7-2-4-12(10,11)5-3-7/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of N-(1,1-dioxothian-4-yl)acetamide?
N-(1,1-dioxothian-4-yl)acetamide has a molecular weight of 191.25 g/mol, XLogP of -0.30, 1 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)acetamide is sourced from PubChem (CID 58356106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).