2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide

C10H22N4O2S2 — CID 10424549

IUPAC2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide
SMILESCNCC(=O)NCCSSCCNC(=O)CNC
InChIInChI=1S/C10H22N4O2S2/c1-11-7-9(15)13-3-5-17-18-6-4-14-10(16)8-12-2/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCPUCKTMPDMVQHL-UHFFFAOYSA-N
MW294.45 g/mol
LogP-0.96
Rot. Bonds11

About 2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide

2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide (PubChem CID 10424549) has the molecular formula C10H22N4O2S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide
PubChem CID10424549
Molecular FormulaC10H22N4O2S2
Molecular Weight294.45 g/mol
Exact Mass294.12
IUPAC Name2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide
SMILESCNCC(=O)NCCSSCCNC(=O)CNC
InChIInChI=1S/C10H22N4O2S2/c1-11-7-9(15)13-3-5-17-18-6-4-14-10(16)8-12-2/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCPUCKTMPDMVQHL-UHFFFAOYSA-N
XLogP-0.96
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-(Dithiodiethylene)bisacetamide
CID 12526
Acetamide, N,N'-(dithiodiethylene)bis(2-amino-, dihydrobromide
CID 57222
S-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethyl] ethanethioate
CID 126660
N-(2-(3-(2-(Acetylamino)ethyl)trisulfanyl)ethyl)acetamide
CID 334898
2-amino-N-[2-[2-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethyldisulfanyl]ethylamino]-2-oxoethyl]acetamide
CID 21268878
(2R)-2-[(2-aminoacetyl)amino]-N-[2-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyldisulfanyl]ethyl]propanamide
CID 3088295
(2R)-2-amino-N-[2-[2-[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]ethyldisulfanyl]ethylamino]-2-oxoethyl]propanamide
CID 44333018
2-Sulfanyl-1-[7-(2-sulfanylacetyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone;dihydrochloride
CID 90664923
N,N'-bis(2-mercaptoethyl)oxamide
CID 274614
N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis(aminoethanimidic acid)--hydrogen bromide (1/2)
CID 49796290
2-Sulfanyl-1-[7-(2-sulfanylacetyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone
CID 45272165
N,N'-diacetyl-l-cystine bis-(methylamide)
CID 21125998

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide (CID 10424549) is 2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide is CNCC(=O)NCCSSCCNC(=O)CNC.
What is the InChIKey of 2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
The InChIKey is CPUCKTMPDMVQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S2/c1-11-7-9(15)13-3-5-17-18-6-4-14-10(16)8-12-2/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide has a molecular weight of 294.45 g/mol, XLogP of -0.96, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide is sourced from PubChem (CID 10424549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).