2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide

C10H23N3OS — CID 84555660

IUPAC2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CSCCN
InChIInChI=1S/C10H23N3OS/c1-3-13(4-2)7-6-12-10(14)9-15-8-5-11/h3-9,11H2,1-2H3,(H,12,14)
InChIKeyFMVHWYVZEYFYDW-UHFFFAOYSA-N
MW233.38 g/mol
LogP0.14
Rot. Bonds9

About 2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide

2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 84555660) has the molecular formula C10H23N3OS and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide
PubChem CID84555660
Molecular FormulaC10H23N3OS
Molecular Weight233.38 g/mol
Exact Mass233.16
IUPAC Name2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CSCCN
InChIInChI=1S/C10H23N3OS/c1-3-13(4-2)7-6-12-10(14)9-15-8-5-11/h3-9,11H2,1-2H3,(H,12,14)
InChIKeyFMVHWYVZEYFYDW-UHFFFAOYSA-N
XLogP0.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-aminoethylsulfanyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 84552559
2-(2-aminoethylsulfanyl)-N-pentylacetamide
CID 84556648
N-(3-amino-2-methylpropyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;dihydrochloride
CID 119997452
2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446260
2-(carbamoylamino)-N-[2-(diethylamino)ethyl]acetamide
CID 127518867
2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569490
(2S)-2-amino-4-[2-(diethylamino)ethylamino]-4-oxobutanoic acid
CID 131886463
N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide
CID 153346647
N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
CID 168959566
bis[4-[2-(diethylamino)ethylamino]-4-oxobutyl] oxalate
CID 57320771
N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide (CID 84555660) is 2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is FMVHWYVZEYFYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3OS/c1-3-13(4-2)7-6-12-10(14)9-15-8-5-11/h3-9,11H2,1-2H3,(H,12,14).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide?
2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 233.38 g/mol, XLogP of 0.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 84555660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).