N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide

C8H15NO4S — CID 82127761

IUPACN-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide
SMILESCC(O)C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO4S/c1-6(10)8(11)9(2)7-3-4-14(12,13)5-7/h6-7,10H,3-5H2,1-2H3
InChIKeyYEIKHAFQWPTGNA-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.99
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide

N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide (PubChem CID 82127761) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide
PubChem CID82127761
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide
SMILESCC(O)C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO4S/c1-6(10)8(11)9(2)7-3-4-14(12,13)5-7/h6-7,10H,3-5H2,1-2H3
InChIKeyYEIKHAFQWPTGNA-UHFFFAOYSA-N
XLogP-0.99
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide (CID 82127761) is N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide is CC(O)C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide?
The InChIKey is YEIKHAFQWPTGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-6(10)8(11)9(2)7-3-4-14(12,13)5-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide?
N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide has a molecular weight of 221.28 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 82127761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).