N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane

C12H27NO3S — CID 145259752

IUPACN-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane
SMILESCC.CC.CC(=O)NCC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S.2C2H6/c1-7(10)9-5-8-3-2-4-13(11,12)6-8;2*1-2/h8H,2-6H2,1H3,(H,9,10);2*1-2H3
InChIKeyLUURHOGANVQTCY-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.00
Rot. Bonds2

About N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane

N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane (PubChem CID 145259752) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane.

Molecular Properties

Compound NameN-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane
PubChem CID145259752
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane
SMILESCC.CC.CC(=O)NCC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S.2C2H6/c1-7(10)9-5-8-3-2-4-13(11,12)6-8;2*1-2/h8H,2-6H2,1H3,(H,9,10);2*1-2H3
InChIKeyLUURHOGANVQTCY-UHFFFAOYSA-N
XLogP2.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane?
The IUPAC name of N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane (CID 145259752) is N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane.
What is the SMILES notation for N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane?
The canonical SMILES for N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane is CC.CC.CC(=O)NCC1CCCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane?
The InChIKey is LUURHOGANVQTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S.2C2H6/c1-7(10)9-5-8-3-2-4-13(11,12)6-8;2*1-2/h8H,2-6H2,1H3,(H,9,10);2*1-2H3.
What are the key properties of N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane?
N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane has a molecular weight of 265.42 g/mol, XLogP of 2.00, 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-3-yl)methyl]acetamide;ethane is sourced from PubChem (CID 145259752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).