2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide

C10H22N2O4S — CID 59839657

IUPAC2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESCOCCOCCOCCNC(=O)C(N)CS
InChIInChI=1S/C10H22N2O4S/c1-14-4-5-16-7-6-15-3-2-12-10(13)9(11)8-17/h9,17H,2-8,11H2,1H3,(H,12,13)
InChIKeyMFHBJJBRACOTCL-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.96
Rot. Bonds11

About 2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide

2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide (PubChem CID 59839657) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide
PubChem CID59839657
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESCOCCOCCOCCNC(=O)C(N)CS
InChIInChI=1S/C10H22N2O4S/c1-14-4-5-16-7-6-15-3-2-12-10(13)9(11)8-17/h9,17H,2-8,11H2,1H3,(H,12,13)
InChIKeyMFHBJJBRACOTCL-UHFFFAOYSA-N
XLogP-0.96
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

l-Cysteinylglycine ethyl ester
CID 53728175
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-sulfanylpropanamide
CID 138728486
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
CID 167242955
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
CID 167243352
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
CID 170063786
N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
CID 170250436
N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide
CID 164575858
mPEG-Thiol
CID 107027119
2-[2-[2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 176433392
2-acetamido-N-[2-(2,2-difluoroethoxy)ethyl]-3-sulfanylpropanamide
CID 105924428
2-acetamido-3-sulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 113999353
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The IUPAC name of 2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide (CID 59839657) is 2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for 2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for 2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide is COCCOCCOCCNC(=O)C(N)CS.
What is the InChIKey of 2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The InChIKey is MFHBJJBRACOTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-14-4-5-16-7-6-15-3-2-12-10(13)9(11)8-17/h9,17H,2-8,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide has a molecular weight of 266.36 g/mol, XLogP of -0.96, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 59839657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).