2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide

C8H17N3O4S2 — CID 114175652

IUPAC2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide
SMILESCNS(=O)(=O)CCNC(=O)C(CS)NC(C)=O
InChIInChI=1S/C8H17N3O4S2/c1-6(12)11-7(5-16)8(13)10-3-4-17(14,15)9-2/h7,9,16H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeySQACMFQPAKZRDM-UHFFFAOYSA-N
MW283.38 g/mol
LogP-1.91
Rot. Bonds7

About 2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide

2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide (PubChem CID 114175652) has the molecular formula C8H17N3O4S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide
PubChem CID114175652
Molecular FormulaC8H17N3O4S2
Molecular Weight283.38 g/mol
Exact Mass283.07
IUPAC Name2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide
SMILESCNS(=O)(=O)CCNC(=O)C(CS)NC(C)=O
InChIInChI=1S/C8H17N3O4S2/c1-6(12)11-7(5-16)8(13)10-3-4-17(14,15)9-2/h7,9,16H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeySQACMFQPAKZRDM-UHFFFAOYSA-N
XLogP-1.91
TPSA104.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769385
2-acetamido-N-[2-(carbamoylamino)ethyl]-3-sulfanylpropanamide
CID 107769803
4-[(2-acetamido-3-sulfanylpropanoyl)amino]butanamide
CID 107769156
S-[2-[(2-acetamido-3-sulfanylpropanoyl)amino]ethyl] ethanethioate
CID 22253947
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-N-[4-[methyl(propan-2-yl)amino]butyl]-3-sulfanylpropanamide
CID 107769401
2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769839
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
CID 106340510
(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340659

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide (CID 114175652) is 2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide is CNS(=O)(=O)CCNC(=O)C(CS)NC(C)=O.
What is the InChIKey of 2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide?
The InChIKey is SQACMFQPAKZRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S2/c1-6(12)11-7(5-16)8(13)10-3-4-17(14,15)9-2/h7,9,16H,3-5H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide?
2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide has a molecular weight of 283.38 g/mol, XLogP of -1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(methylsulfamoyl)ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 114175652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).