N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide

C7H14N2O2S3 — CID 142108991

IUPACN-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide
SMILESCC(S)NC(=O)C(S)NC(=O)C(C)S
InChIInChI=1S/C7H14N2O2S3/c1-3(12)5(10)9-7(14)6(11)8-4(2)13/h3-4,7,12-14H,1-2H3,(H,8,11)(H,9,10)
InChIKeyTUOBLRBFQIPSCZ-UHFFFAOYSA-N
MW254.40 g/mol
LogP0.07
Rot. Bonds4

About N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide

N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide (PubChem CID 142108991) has the molecular formula C7H14N2O2S3 and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide
PubChem CID142108991
Molecular FormulaC7H14N2O2S3
Molecular Weight254.40 g/mol
Exact Mass254.02
IUPAC NameN-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide
SMILESCC(S)NC(=O)C(S)NC(=O)C(C)S
InChIInChI=1S/C7H14N2O2S3/c1-3(12)5(10)9-7(14)6(11)8-4(2)13/h3-4,7,12-14H,1-2H3,(H,8,11)(H,9,10)
InChIKeyTUOBLRBFQIPSCZ-UHFFFAOYSA-N
XLogP0.07
TPSA58.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 50.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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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Related Compounds

(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
CID 11063423
N-hydroxy-2-sulfanylpropanamide
CID 20542834
N-(6-methylheptan-2-yl)-2-sulfanylpropanamide
CID 107025134
N-(1-sulfanylethyl)propanamide
CID 22119628
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
N-(1-cyclopropylpropan-2-yl)-2-sulfanylpropanamide
CID 107030339
sodium 2-[[(2R)-2-sulfanylpropanoyl]amino]acetate
CID 76968776
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
N-hex-1-yn-3-yl-2-sulfanylpropanamide
CID 106229841

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide?
The IUPAC name of N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide (CID 142108991) is N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide is CC(S)NC(=O)C(S)NC(=O)C(C)S.
What is the InChIKey of N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide?
The InChIKey is TUOBLRBFQIPSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S3/c1-3(12)5(10)9-7(14)6(11)8-4(2)13/h3-4,7,12-14H,1-2H3,(H,8,11)(H,9,10).
What are the key properties of N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide?
N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide has a molecular weight of 254.40 g/mol, XLogP of 0.07, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-sulfanyl-2-(1-sulfanylethylamino)ethyl]-2-sulfanylpropanamide is sourced from PubChem (CID 142108991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).