N-(1-oxo-4-propanoylthian-1-ylidene)acetamide

C10H17NO3S — CID 139365600

IUPACN-(1-oxo-4-propanoylthian-1-ylidene)acetamide
SMILESCCC(=O)C1CCS(=O)(=NC(C)=O)CC1
InChIInChI=1S/C10H17NO3S/c1-3-10(13)9-4-6-15(14,7-5-9)11-8(2)12/h9H,3-7H2,1-2H3
InChIKeyDQTJABHNXAWCLW-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.39
Rot. Bonds2

About N-(1-oxo-4-propanoylthian-1-ylidene)acetamide

N-(1-oxo-4-propanoylthian-1-ylidene)acetamide (PubChem CID 139365600) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(1-oxo-4-propanoylthian-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(1-oxo-4-propanoylthian-1-ylidene)acetamide
PubChem CID139365600
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC NameN-(1-oxo-4-propanoylthian-1-ylidene)acetamide
SMILESCCC(=O)C1CCS(=O)(=NC(C)=O)CC1
InChIInChI=1S/C10H17NO3S/c1-3-10(13)9-4-6-15(14,7-5-9)11-8(2)12/h9H,3-7H2,1-2H3
InChIKeyDQTJABHNXAWCLW-UHFFFAOYSA-N
XLogP1.39
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetyl-1-oxothian-1-ylidene)acetamide
CID 134433983
1-(4-hydroxycyclohexyl)propan-1-one
CID 51039861
4-propanoylcyclohexane-1-carboxamide
CID 118218321
1-(1-methylimino-1-oxothian-4-yl)ethanone
CID 134433982
1-spiro[4.5]decan-8-ylpropan-1-one
CID 114820945
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
N-methyl-4-propanoylcyclohexane-1-carboxamide
CID 170174898
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
1-(4-propanoylpiperidin-1-yl)pentane-1,4-dione
CID 84581771
1-(1,1-dioxothian-4-yl)ethanone
CID 18715022
1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 96635007
1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one
CID 130457436

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-4-propanoylthian-1-ylidene)acetamide?
The IUPAC name of N-(1-oxo-4-propanoylthian-1-ylidene)acetamide (CID 139365600) is N-(1-oxo-4-propanoylthian-1-ylidene)acetamide.
What is the SMILES notation for N-(1-oxo-4-propanoylthian-1-ylidene)acetamide?
The canonical SMILES for N-(1-oxo-4-propanoylthian-1-ylidene)acetamide is CCC(=O)C1CCS(=O)(=NC(C)=O)CC1.
What is the InChIKey of N-(1-oxo-4-propanoylthian-1-ylidene)acetamide?
The InChIKey is DQTJABHNXAWCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-3-10(13)9-4-6-15(14,7-5-9)11-8(2)12/h9H,3-7H2,1-2H3.
What are the key properties of N-(1-oxo-4-propanoylthian-1-ylidene)acetamide?
N-(1-oxo-4-propanoylthian-1-ylidene)acetamide has a molecular weight of 231.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-4-propanoylthian-1-ylidene)acetamide is sourced from PubChem (CID 139365600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).