N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide

C9H17NO3S — CID 54394311

IUPACN-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide
SMILESCC(=O)NC1CCS(=O)(=O)C1C(C)C
InChIInChI=1S/C9H17NO3S/c1-6(2)9-8(10-7(3)11)4-5-14(9,12)13/h6,8-9H,4-5H2,1-3H3,(H,10,11)
InChIKeyVIVYHAVGIOSRFZ-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.33
Rot. Bonds2

About N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide

N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide (PubChem CID 54394311) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide
PubChem CID54394311
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide
SMILESCC(=O)NC1CCS(=O)(=O)C1C(C)C
InChIInChI=1S/C9H17NO3S/c1-6(2)9-8(10-7(3)11)4-5-14(9,12)13/h6,8-9H,4-5H2,1-3H3,(H,10,11)
InChIKeyVIVYHAVGIOSRFZ-UHFFFAOYSA-N
XLogP0.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide (CID 54394311) is N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide is CC(=O)NC1CCS(=O)(=O)C1C(C)C.
What is the InChIKey of N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide?
The InChIKey is VIVYHAVGIOSRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-6(2)9-8(10-7(3)11)4-5-14(9,12)13/h6,8-9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide?
N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide has a molecular weight of 219.31 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2-propan-2-ylthiolan-3-yl)acetamide is sourced from PubChem (CID 54394311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).