ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide

C10H22N2O2S — CID 145330870

IUPACethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide
SMILESCC.CC(C)NC(=O)CNC(=O)[C@@H](C)S
InChIInChI=1S/C8H16N2O2S.C2H6/c1-5(2)10-7(11)4-9-8(12)6(3)13;1-2/h5-6,13H,4H2,1-3H3,(H,9,12)(H,10,11);1-2H3/t6-;/m1./s1
InChIKeyCNJMKXRHPNYJQS-FYZOBXCZSA-N
MW234.36 g/mol
LogP0.97
Rot. Bonds4

About ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide

ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide (PubChem CID 145330870) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide.

Molecular Properties

Compound Nameethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide
PubChem CID145330870
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Nameethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide
SMILESCC.CC(C)NC(=O)CNC(=O)[C@@H](C)S
InChIInChI=1S/C8H16N2O2S.C2H6/c1-5(2)10-7(11)4-9-8(12)6(3)13;1-2/h5-6,13H,4H2,1-3H3,(H,9,12)(H,10,11);1-2H3/t6-;/m1./s1
InChIKeyCNJMKXRHPNYJQS-FYZOBXCZSA-N
XLogP0.97
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 62639289
2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid
CID 103496290
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
N-[2-(2-aminoethylamino)-2-oxoethyl]-2-sulfanylpropanamide
CID 131862944
sodium 2-[[(2R)-2-sulfanylpropanoyl]amino]acetate
CID 76968776
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
2-acetamido-2-cyclopentyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 134026215
2-(hydrazinecarbonylamino)-N-propan-2-ylacetamide;hydrochloride
CID 146675439
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
(E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide
CID 15427851
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
CID 43567860

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide?
The IUPAC name of ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide (CID 145330870) is ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide.
What is the SMILES notation for ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide?
The canonical SMILES for ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide is CC.CC(C)NC(=O)CNC(=O)[C@@H](C)S.
What is the InChIKey of ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide?
The InChIKey is CNJMKXRHPNYJQS-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H16N2O2S.C2H6/c1-5(2)10-7(11)4-9-8(12)6(3)13;1-2/h5-6,13H,4H2,1-3H3,(H,9,12)(H,10,11);1-2H3/t6-;/m1./s1.
What are the key properties of ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide?
ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide has a molecular weight of 234.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-sulfanylpropanamide is sourced from PubChem (CID 145330870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).