(2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide

C10H22N4O3S — CID 59664508

IUPAC(2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide
SMILESCN[C@@H](CS)C(=O)NCC(=O)NCCOCCN
InChIInChI=1S/C10H22N4O3S/c1-12-8(7-18)10(16)14-6-9(15)13-3-5-17-4-2-11/h8,12,18H,2-7,11H2,1H3,(H,13,15)(H,14,16)/t8-/m0/s1
InChIKeyVORLRXDYUXRQBT-QMMMGPOBSA-N
MW278.38 g/mol
LogP-2.29
Rot. Bonds10

About (2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide

(2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide (PubChem CID 59664508) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is (2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide
PubChem CID59664508
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name(2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide
SMILESCN[C@@H](CS)C(=O)NCC(=O)NCCOCCN
InChIInChI=1S/C10H22N4O3S/c1-12-8(7-18)10(16)14-6-9(15)13-3-5-17-4-2-11/h8,12,18H,2-7,11H2,1H3,(H,13,15)(H,14,16)/t8-/m0/s1
InChIKeyVORLRXDYUXRQBT-QMMMGPOBSA-N
XLogP-2.29
TPSA105.48 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-2.29
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide?
The IUPAC name of (2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide (CID 59664508) is (2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide?
The canonical SMILES for (2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide is CN[C@@H](CS)C(=O)NCC(=O)NCCOCCN.
What is the InChIKey of (2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide?
The InChIKey is VORLRXDYUXRQBT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-12-8(7-18)10(16)14-6-9(15)13-3-5-17-4-2-11/h8,12,18H,2-7,11H2,1H3,(H,13,15)(H,14,16)/t8-/m0/s1.
What are the key properties of (2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide?
(2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide has a molecular weight of 278.38 g/mol, XLogP of -2.29, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-2-(methylamino)-3-sulfanylpropanamide is sourced from PubChem (CID 59664508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).