N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide

C10H18N2O3S — CID 71787224

IUPACN'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
SMILESCSCC(C)(O)CNC(=O)C(=O)NC1CC1
InChIInChI=1S/C10H18N2O3S/c1-10(15,6-16-2)5-11-8(13)9(14)12-7-3-4-7/h7,15H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyVOTPGUBPWSXOEN-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.50
Rot. Bonds5

About N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide

N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide (PubChem CID 71787224) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
PubChem CID71787224
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
SMILESCSCC(C)(O)CNC(=O)C(=O)NC1CC1
InChIInChI=1S/C10H18N2O3S/c1-10(15,6-16-2)5-11-8(13)9(14)12-7-3-4-7/h7,15H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyVOTPGUBPWSXOEN-UHFFFAOYSA-N
XLogP-0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The IUPAC name of N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide (CID 71787224) is N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide.
What is the SMILES notation for N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The canonical SMILES for N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide is CSCC(C)(O)CNC(=O)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
The InChIKey is VOTPGUBPWSXOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-10(15,6-16-2)5-11-8(13)9(14)12-7-3-4-7/h7,15H,3-6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide?
N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide has a molecular weight of 246.33 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide is sourced from PubChem (CID 71787224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).