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

C11H20N2O2S — CID 63915502

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide
SMILESNC(=O)C(CSCCO)(NC1CC1)C1CC1
InChIInChI=1S/C11H20N2O2S/c12-10(15)11(8-1-2-8,7-16-6-5-14)13-9-3-4-9/h8-9,13-14H,1-7H2,(H2,12,15)
InChIKeyWVCYDZUWZPGMKM-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.10
Rot. Bonds8

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

2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide (PubChem CID 63915502) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide
PubChem CID63915502
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide
SMILESNC(=O)C(CSCCO)(NC1CC1)C1CC1
InChIInChI=1S/C11H20N2O2S/c12-10(15)11(8-1-2-8,7-16-6-5-14)13-9-3-4-9/h8-9,13-14H,1-7H2,(H2,12,15)
InChIKeyWVCYDZUWZPGMKM-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.10
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-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide (CID 63915502) is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide is NC(=O)C(CSCCO)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide?
The InChIKey is WVCYDZUWZPGMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c12-10(15)11(8-1-2-8,7-16-6-5-14)13-9-3-4-9/h8-9,13-14H,1-7H2,(H2,12,15).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide?
2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide has a molecular weight of 244.36 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanamide is sourced from PubChem (CID 63915502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).