2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide

C8H15N3O2S — CID 43249562

IUPAC2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
SMILESNCCSCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c9-3-4-14-5-7(12)11-8(13)10-6-1-2-6/h6H,1-5,9H2,(H2,10,11,12,13)
InChIKeyMWVUVXNKCKSLJV-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.33
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide

2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 43249562) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
PubChem CID43249562
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
SMILESNCCSCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c9-3-4-14-5-7(12)11-8(13)10-6-1-2-6/h6H,1-5,9H2,(H2,10,11,12,13)
InChIKeyMWVUVXNKCKSLJV-UHFFFAOYSA-N
XLogP-0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
CID 84556006
2-amino-3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385362
2-amino-4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 60930347
2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 43249110
N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114075
N-(cyclohexylcarbamoyl)-2-cyclohexylsulfanylacetamide
CID 8705522
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060858
2-[3-aminopropyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 81494112
2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43299826
3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide
CID 66217317
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] N-(diaminomethylidene)carbamimidothioate
CID 83082361

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide (CID 43249562) is 2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide is NCCSCC(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is MWVUVXNKCKSLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c9-3-4-14-5-7(12)11-8(13)10-6-1-2-6/h6H,1-5,9H2,(H2,10,11,12,13).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide?
2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 217.29 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 43249562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).