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

C11H20N2O3S — CID 102684941

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
SMILESNC(=O)CSCCC(=O)N(CCO)C1CCC1
InChIInChI=1S/C11H20N2O3S/c12-10(15)8-17-7-4-11(16)13(5-6-14)9-2-1-3-9/h9,14H,1-8H2,(H2,12,15)
InChIKeySLLFFBWHRRFHKS-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.03
Rot. Bonds8

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

3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide (PubChem CID 102684941) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
PubChem CID102684941
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
SMILESNC(=O)CSCCC(=O)N(CCO)C1CCC1
InChIInChI=1S/C11H20N2O3S/c12-10(15)8-17-7-4-11(16)13(5-6-14)9-2-1-3-9/h9,14H,1-8H2,(H2,12,15)
InChIKeySLLFFBWHRRFHKS-UHFFFAOYSA-N
XLogP-0.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.03
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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Related Compounds

3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107026376
3-(4-aminocyclohexyl)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102871199
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 102875349
N-cyclobutyl-3-(cyclopropylamino)-N-(2-hydroxyethyl)propanamide
CID 102862128
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
N-cyclobutyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 102862058
N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 102862127
N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide
CID 102684582
N-cyclobutyl-2-(dimethylamino)-N-(2-hydroxyethyl)acetamide
CID 102685214
N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-hydroxybutanamide
CID 79204116

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide (CID 102684941) is 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide is NC(=O)CSCCC(=O)N(CCO)C1CCC1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is SLLFFBWHRRFHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-10(15)8-17-7-4-11(16)13(5-6-14)9-2-1-3-9/h9,14H,1-8H2,(H2,12,15).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-cyclobutyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 260.36 g/mol, XLogP of -0.03, 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-cyclobutyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 102684941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).