3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide

C10H18N2O3S — CID 43577353

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
SMILESNC(=O)CSCCC(=O)N(CCO)C1CC1
InChIInChI=1S/C10H18N2O3S/c11-9(14)7-16-6-3-10(15)12(4-5-13)8-1-2-8/h8,13H,1-7H2,(H2,11,14)
InChIKeyBDNSQKHUWIRFDX-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.42
Rot. Bonds8

About 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide (PubChem CID 43577353) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
PubChem CID43577353
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
SMILESNC(=O)CSCCC(=O)N(CCO)C1CC1
InChIInChI=1S/C10H18N2O3S/c11-9(14)7-16-6-3-10(15)12(4-5-13)8-1-2-8/h8,13H,1-7H2,(H2,11,14)
InChIKeyBDNSQKHUWIRFDX-UHFFFAOYSA-N
XLogP-0.42
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide (CID 43577353) is 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide is NC(=O)CSCCC(=O)N(CCO)C1CC1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is BDNSQKHUWIRFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c11-9(14)7-16-6-3-10(15)12(4-5-13)8-1-2-8/h8,13H,1-7H2,(H2,11,14).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 246.33 g/mol, XLogP of -0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 43577353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).