2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide

C11H22N4O2S — CID 54948154

IUPAC2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C11H22N4O2S/c1-4-15(7-10(16)13-2)8-11(17)14(3)6-5-9(12)18/h4-8H2,1-3H3,(H2,12,18)(H,13,16)
InChIKeyTZWGJLJIOAEVMP-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.81
Rot. Bonds8

About 2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide

2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide (PubChem CID 54948154) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide
PubChem CID54948154
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C11H22N4O2S/c1-4-15(7-10(16)13-2)8-11(17)14(3)6-5-9(12)18/h4-8H2,1-3H3,(H2,12,18)(H,13,16)
InChIKeyTZWGJLJIOAEVMP-UHFFFAOYSA-N
XLogP-0.81
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-4-sulfanylidenebutyl)-ethylamino]-N-methylacetamide
CID 61450914
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
CID 82961286
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869864
N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide
CID 63956602
2-[2-[carboxymethyl-[2-[2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]-methylamino]ethyl-methylamino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 22902817
2-[(3-amino-3-sulfanylidenepropyl)-ethylamino]-N-pentan-3-ylacetamide
CID 54992977
N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
CID 28780497
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide
CID 61423754
3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 61066515
N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 54995342
2-[ethyl(5-oxohexyl)amino]-N-methylacetamide
CID 62052639

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide (CID 54948154) is 2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)CC(=O)N(C)CCC(N)=S.
What is the InChIKey of 2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide?
The InChIKey is TZWGJLJIOAEVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-4-15(7-10(16)13-2)8-11(17)14(3)6-5-9(12)18/h4-8H2,1-3H3,(H2,12,18)(H,13,16).
What are the key properties of 2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide?
2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide has a molecular weight of 274.39 g/mol, XLogP of -0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 54948154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).