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

C11H22N2O2S — CID 63915500

IUPAC2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide
SMILESCCCNC(CSCCO)(C(N)=O)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-2-5-13-11(10(12)15,9-3-4-9)8-16-7-6-14/h9,13-14H,2-8H2,1H3,(H2,12,15)
InChIKeyQHXIVIKNSSEXIQ-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.35
Rot. Bonds9

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

2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide (PubChem CID 63915500) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide
PubChem CID63915500
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide
SMILESCCCNC(CSCCO)(C(N)=O)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-2-5-13-11(10(12)15,9-3-4-9)8-16-7-6-14/h9,13-14H,2-8H2,1H3,(H2,12,15)
InChIKeyQHXIVIKNSSEXIQ-UHFFFAOYSA-N
XLogP0.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.35
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-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide (CID 63915500) is 2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide is CCCNC(CSCCO)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide?
The InChIKey is QHXIVIKNSSEXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-5-13-11(10(12)15,9-3-4-9)8-16-7-6-14/h9,13-14H,2-8H2,1H3,(H2,12,15).
What are the key properties of 2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide?
2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide has a molecular weight of 246.38 g/mol, XLogP of 0.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-hydroxyethylsulfanyl)-2-(propylamino)propanamide is sourced from PubChem (CID 63915500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).