N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide

C4H10N2OS2 — CID 57161917

IUPACN-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide
SMILESNCCNC(=O)C(S)S
InChIInChI=1S/C4H10N2OS2/c5-1-2-6-3(7)4(8)9/h4,8-9H,1-2,5H2,(H,6,7)
InChIKeyMQFDGLAHEPKSGL-UHFFFAOYSA-N
MW166.27 g/mol
LogP-0.75
Rot. Bonds3

About N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide

N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide (PubChem CID 57161917) has the molecular formula C4H10N2OS2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide
PubChem CID57161917
Molecular FormulaC4H10N2OS2
Molecular Weight166.27 g/mol
Exact Mass166.02
IUPAC NameN-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide
SMILESNCCNC(=O)C(S)S
InChIInChI=1S/C4H10N2OS2/c5-1-2-6-3(7)4(8)9/h4,8-9H,1-2,5H2,(H,6,7)
InChIKeyMQFDGLAHEPKSGL-UHFFFAOYSA-N
XLogP-0.75
TPSA55.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-aminoethyl)-2,2-bis(sulfanyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide (CID 57161917) is N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide is NCCNC(=O)C(S)S.
What is the InChIKey of N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide?
The InChIKey is MQFDGLAHEPKSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS2/c5-1-2-6-3(7)4(8)9/h4,8-9H,1-2,5H2,(H,6,7).
What are the key properties of N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide?
N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide has a molecular weight of 166.27 g/mol, XLogP of -0.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,2-bis(sulfanyl)acetamide is sourced from PubChem (CID 57161917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).