N-(2-amino-2-sulfanylethyl)acetamide

C4H10N2OS — CID 175821750

IUPACN-(2-amino-2-sulfanylethyl)acetamide
SMILESCC(=O)NCC(N)S
InChIInChI=1S/C4H10N2OS/c1-3(7)6-2-4(5)8/h4,8H,2,5H2,1H3,(H,6,7)
InChIKeyCQXJLNRWYAJISZ-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.66
Rot. Bonds2

About N-(2-amino-2-sulfanylethyl)acetamide

N-(2-amino-2-sulfanylethyl)acetamide (PubChem CID 175821750) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylethyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylethyl)acetamide
PubChem CID175821750
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC NameN-(2-amino-2-sulfanylethyl)acetamide
SMILESCC(=O)NCC(N)S
InChIInChI=1S/C4H10N2OS/c1-3(7)6-2-4(5)8/h4,8H,2,5H2,1H3,(H,6,7)
InChIKeyCQXJLNRWYAJISZ-UHFFFAOYSA-N
XLogP-0.66
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylethyl)acetamide?
The IUPAC name of N-(2-amino-2-sulfanylethyl)acetamide (CID 175821750) is N-(2-amino-2-sulfanylethyl)acetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylethyl)acetamide?
The canonical SMILES for N-(2-amino-2-sulfanylethyl)acetamide is CC(=O)NCC(N)S.
What is the InChIKey of N-(2-amino-2-sulfanylethyl)acetamide?
The InChIKey is CQXJLNRWYAJISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-3(7)6-2-4(5)8/h4,8H,2,5H2,1H3,(H,6,7).
What are the key properties of N-(2-amino-2-sulfanylethyl)acetamide?
N-(2-amino-2-sulfanylethyl)acetamide has a molecular weight of 134.20 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylethyl)acetamide is sourced from PubChem (CID 175821750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).