2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide

C7H15N3O2S — CID 140862347

IUPAC2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide
SMILESCC(CS)NC(=O)CNC(=O)CN
InChIInChI=1S/C7H15N3O2S/c1-5(4-13)10-7(12)3-9-6(11)2-8/h5,13H,2-4,8H2,1H3,(H,9,11)(H,10,12)
InChIKeyBRGHVUTUMREYQC-UHFFFAOYSA-N
MW205.28 g/mol
LogP-1.50
Rot. Bonds5

About 2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide

2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide (PubChem CID 140862347) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide
PubChem CID140862347
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide
SMILESCC(CS)NC(=O)CNC(=O)CN
InChIInChI=1S/C7H15N3O2S/c1-5(4-13)10-7(12)3-9-6(11)2-8/h5,13H,2-4,8H2,1H3,(H,9,11)(H,10,12)
InChIKeyBRGHVUTUMREYQC-UHFFFAOYSA-N
XLogP-1.50
TPSA84.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Acetylcysteinamide
CID 82333
N-Acetylcysteine amide
CID 10176265
Alanylcysteine zwitterion
CID 155903251
(2R)-2-acetamido-3-sulfanyl-N-(2-sulfanylethyl)propanamide
CID 516570
Acetylcysteinamide, DL-
CID 9942232
Oxamide, (3-((2-mercaptoethyl)amino)propyl)-, monohydrochloride
CID 32468
3-(Sulfanylmethyl)piperazine-2,5-dione
CID 49787209
cysteine N-methyl amide
CID 54285324
N-Carbamoylmethyl-2-isopropylsulfanyl-acetamide
CID 2729293
4-[(2R)-2-amino-3-sulfanylpropanoyl]piperazin-2-one
CID 155541180
Ac-Cys-NHMe
CID 11949287
N,N'-bis(2-mercaptoethyl)oxamide
CID 274614

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide (CID 140862347) is 2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide is CC(CS)NC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide?
The InChIKey is BRGHVUTUMREYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-5(4-13)10-7(12)3-9-6(11)2-8/h5,13H,2-4,8H2,1H3,(H,9,11)(H,10,12).
What are the key properties of 2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide?
2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide has a molecular weight of 205.28 g/mol, XLogP of -1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 140862347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).