N-(oxidosulfonothioylmethyl)acetamide

C3H6NO3S2- — CID 20678209

IUPACN-(oxidosulfonothioylmethyl)acetamide
SMILESCC(=O)NCS(=O)([O-])=S
InChIInChI=1S/C3H7NO3S2/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H,6,7,8)/p-1
InChIKeyAEYOFWRNZPARPM-UHFFFAOYSA-M
MW168.22 g/mol
LogP-1.04
Rot. Bonds2

About N-(oxidosulfonothioylmethyl)acetamide

N-(oxidosulfonothioylmethyl)acetamide (PubChem CID 20678209) has the molecular formula C3H6NO3S2- and a molecular weight of 168.22 g/mol. Its IUPAC name is N-(oxidosulfonothioylmethyl)acetamide.

Molecular Properties

Compound NameN-(oxidosulfonothioylmethyl)acetamide
PubChem CID20678209
Molecular FormulaC3H6NO3S2-
Molecular Weight168.22 g/mol
Exact Mass167.98
IUPAC NameN-(oxidosulfonothioylmethyl)acetamide
SMILESCC(=O)NCS(=O)([O-])=S
InChIInChI=1S/C3H7NO3S2/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H,6,7,8)/p-1
InChIKeyAEYOFWRNZPARPM-UHFFFAOYSA-M
XLogP-1.04
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxidosulfonothioylmethyl)acetamide?
The IUPAC name of N-(oxidosulfonothioylmethyl)acetamide (CID 20678209) is N-(oxidosulfonothioylmethyl)acetamide.
What is the SMILES notation for N-(oxidosulfonothioylmethyl)acetamide?
The canonical SMILES for N-(oxidosulfonothioylmethyl)acetamide is CC(=O)NCS(=O)([O-])=S.
What is the InChIKey of N-(oxidosulfonothioylmethyl)acetamide?
The InChIKey is AEYOFWRNZPARPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO3S2/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H,6,7,8)/p-1.
What are the key properties of N-(oxidosulfonothioylmethyl)acetamide?
N-(oxidosulfonothioylmethyl)acetamide has a molecular weight of 168.22 g/mol, XLogP of -1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxidosulfonothioylmethyl)acetamide is sourced from PubChem (CID 20678209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).