N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane

C4H14N2O3S — CID 168951364

IUPACN-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane
SMILESCC.CC(=O)NS(N)(O)O
InChIInChI=1S/C2H8N2O3S.C2H6/c1-2(5)4-8(3,6)7;1-2/h6-7H,3H2,1H3,(H,4,5);1-2H3
InChIKeyIGJXROBSODPULZ-UHFFFAOYSA-N
MW170.23 g/mol
LogP0.69
Rot. Bonds1

About N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane

N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane (PubChem CID 168951364) has the molecular formula C4H14N2O3S and a molecular weight of 170.23 g/mol. Its IUPAC name is N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane.

Molecular Properties

Compound NameN-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane
PubChem CID168951364
Molecular FormulaC4H14N2O3S
Molecular Weight170.23 g/mol
Exact Mass170.07
IUPAC NameN-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane
SMILESCC.CC(=O)NS(N)(O)O
InChIInChI=1S/C2H8N2O3S.C2H6/c1-2(5)4-8(3,6)7;1-2/h6-7H,3H2,1H3,(H,4,5);1-2H3
InChIKeyIGJXROBSODPULZ-UHFFFAOYSA-N
XLogP0.69
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane?
The IUPAC name of N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane (CID 168951364) is N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane.
What is the SMILES notation for N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane?
The canonical SMILES for N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane is CC.CC(=O)NS(N)(O)O.
What is the InChIKey of N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane?
The InChIKey is IGJXROBSODPULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O3S.C2H6/c1-2(5)4-8(3,6)7;1-2/h6-7H,3H2,1H3,(H,4,5);1-2H3.
What are the key properties of N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane?
N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane has a molecular weight of 170.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(dihydroxy)-λ4-sulfanyl]acetamide;ethane is sourced from PubChem (CID 168951364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).