2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide

C13H29N3OS2 — CID 10047882

IUPAC2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
SMILESCCN(CC)CCCN(CCS)CC(=O)NCCS
InChIInChI=1S/C13H29N3OS2/c1-3-15(4-2)7-5-8-16(9-11-19)12-13(17)14-6-10-18/h18-19H,3-12H2,1-2H3,(H,14,17)
InChIKeyGZUSPBCUTALQDD-UHFFFAOYSA-N
MW307.53 g/mol
LogP1.00
Rot. Bonds12

About 2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide

2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide (PubChem CID 10047882) has the molecular formula C13H29N3OS2 and a molecular weight of 307.53 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
PubChem CID10047882
Molecular FormulaC13H29N3OS2
Molecular Weight307.53 g/mol
Exact Mass307.18
IUPAC Name2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
SMILESCCN(CC)CCCN(CCS)CC(=O)NCCS
InChIInChI=1S/C13H29N3OS2/c1-3-15(4-2)7-5-8-16(9-11-19)12-13(17)14-6-10-18/h18-19H,3-12H2,1-2H3,(H,14,17)
InChIKeyGZUSPBCUTALQDD-UHFFFAOYSA-N
XLogP1.00
TPSA35.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 100944879
3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide
CID 58811044
2-[bis[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 5289611
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 146388911
2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide
CID 20768518
2-(diethylamino)-N-[3-[[2-(diethylamino)acetyl]amino]propyl]acetamide;dihydrochloride
CID 24832330
N-butyl-2-(diethylamino)acetamide
CID 54813643
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
N-butyl-2-(dipropylamino)acetamide
CID 54817378
[1-hydroxy-4-[4-[[2-oxo-2-(2-sulfanylethylamino)ethyl]-(2-sulfanylethyl)amino]butanoylamino]-1-phosphonobutyl]phosphonic acid;oxygen(2-);rhenium
CID 11983266
2-(diethylamino)-N-[3-(methylamino)propyl]acetamide
CID 119429887
N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide
CID 137363672

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide?
The IUPAC name of 2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide (CID 10047882) is 2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide is CCN(CC)CCCN(CCS)CC(=O)NCCS.
What is the InChIKey of 2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide?
The InChIKey is GZUSPBCUTALQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3OS2/c1-3-15(4-2)7-5-8-16(9-11-19)12-13(17)14-6-10-18/h18-19H,3-12H2,1-2H3,(H,14,17).
What are the key properties of 2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide?
2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide has a molecular weight of 307.53 g/mol, XLogP of 1.00, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 10047882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).