2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide

C12H17N3OS — CID 60729665

IUPAC2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide
SMILESCCN(CC(=O)Nc1ccccc1)CC(N)=S
InChIInChI=1S/C12H17N3OS/c1-2-15(8-11(13)17)9-12(16)14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,17)(H,14,16)
InChIKeyGDPUQGRKNLLXCB-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.23
Rot. Bonds6

About 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide

2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide (PubChem CID 60729665) has the molecular formula C12H17N3OS and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide
PubChem CID60729665
Molecular FormulaC12H17N3OS
Molecular Weight251.36 g/mol
Exact Mass251.11
IUPAC Name2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide
SMILESCCN(CC(=O)Nc1ccccc1)CC(N)=S
InChIInChI=1S/C12H17N3OS/c1-2-15(8-11(13)17)9-12(16)14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,17)(H,14,16)
InChIKeyGDPUQGRKNLLXCB-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide
CID 60729755
2-[2-aminoethyl(ethyl)amino]-N-phenylacetamide
CID 61348942
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012683
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-phenylacetamide
CID 34925634
2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide
CID 43459401
N-(2-deuteriophenyl)-2-(diethylamino)acetamide
CID 15707008
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide?
The IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide (CID 60729665) is 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide is CCN(CC(=O)Nc1ccccc1)CC(N)=S.
What is the InChIKey of 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide?
The InChIKey is GDPUQGRKNLLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-2-15(8-11(13)17)9-12(16)14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide?
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide has a molecular weight of 251.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide is sourced from PubChem (CID 60729665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).