N-(4-acetyl-1-oxothian-1-ylidene)acetamide

C9H15NO3S — CID 134433983

IUPACN-(4-acetyl-1-oxothian-1-ylidene)acetamide
SMILESCC(=O)N=S1(=O)CCC(C(C)=O)CC1
InChIInChI=1S/C9H15NO3S/c1-7(11)9-3-5-14(13,6-4-9)10-8(2)12/h9H,3-6H2,1-2H3
InChIKeySNXJPKLEMDXNEC-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.00
Rot. Bonds1

About N-(4-acetyl-1-oxothian-1-ylidene)acetamide

N-(4-acetyl-1-oxothian-1-ylidene)acetamide (PubChem CID 134433983) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(4-acetyl-1-oxothian-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-1-oxothian-1-ylidene)acetamide
PubChem CID134433983
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-(4-acetyl-1-oxothian-1-ylidene)acetamide
SMILESCC(=O)N=S1(=O)CCC(C(C)=O)CC1
InChIInChI=1S/C9H15NO3S/c1-7(11)9-3-5-14(13,6-4-9)10-8(2)12/h9H,3-6H2,1-2H3
InChIKeySNXJPKLEMDXNEC-UHFFFAOYSA-N
XLogP1.00
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1-oxothian-1-ylidene)acetamide?
The IUPAC name of N-(4-acetyl-1-oxothian-1-ylidene)acetamide (CID 134433983) is N-(4-acetyl-1-oxothian-1-ylidene)acetamide.
What is the SMILES notation for N-(4-acetyl-1-oxothian-1-ylidene)acetamide?
The canonical SMILES for N-(4-acetyl-1-oxothian-1-ylidene)acetamide is CC(=O)N=S1(=O)CCC(C(C)=O)CC1.
What is the InChIKey of N-(4-acetyl-1-oxothian-1-ylidene)acetamide?
The InChIKey is SNXJPKLEMDXNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-7(11)9-3-5-14(13,6-4-9)10-8(2)12/h9H,3-6H2,1-2H3.
What are the key properties of N-(4-acetyl-1-oxothian-1-ylidene)acetamide?
N-(4-acetyl-1-oxothian-1-ylidene)acetamide has a molecular weight of 217.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1-oxothian-1-ylidene)acetamide is sourced from PubChem (CID 134433983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).