2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide

C10H20N2O2S — CID 63915501

IUPAC2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide
SMILESCCNC(CSCCO)(C(N)=O)C1CC1
InChIInChI=1S/C10H20N2O2S/c1-2-12-10(9(11)14,8-3-4-8)7-15-6-5-13/h8,12-13H,2-7H2,1H3,(H2,11,14)
InChIKeyJHEPWWROVWGRDG-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.04
Rot. Bonds8

About 2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide

2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide (PubChem CID 63915501) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide
PubChem CID63915501
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide
SMILESCCNC(CSCCO)(C(N)=O)C1CC1
InChIInChI=1S/C10H20N2O2S/c1-2-12-10(9(11)14,8-3-4-8)7-15-6-5-13/h8,12-13H,2-7H2,1H3,(H2,11,14)
InChIKeyJHEPWWROVWGRDG-UHFFFAOYSA-N
XLogP-0.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide (CID 63915501) is 2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide is CCNC(CSCCO)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide?
The InChIKey is JHEPWWROVWGRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-12-10(9(11)14,8-3-4-8)7-15-6-5-13/h8,12-13H,2-7H2,1H3,(H2,11,14).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide?
2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide has a molecular weight of 232.35 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(2-hydroxyethylsulfanyl)propanamide is sourced from PubChem (CID 63915501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).