N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide

C10H18N2O3S — CID 90584423

IUPACN-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide
SMILESCCNC(=O)C(=O)NCC1(OC)CCSC1
InChIInChI=1S/C10H18N2O3S/c1-3-11-8(13)9(14)12-6-10(15-2)4-5-16-7-10/h3-7H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyKTAHYTNWZJZQTG-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.24
Rot. Bonds4

About N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide

N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide (PubChem CID 90584423) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide
PubChem CID90584423
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide
SMILESCCNC(=O)C(=O)NCC1(OC)CCSC1
InChIInChI=1S/C10H18N2O3S/c1-3-11-8(13)9(14)12-6-10(15-2)4-5-16-7-10/h3-7H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyKTAHYTNWZJZQTG-UHFFFAOYSA-N
XLogP-0.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
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-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide?
The IUPAC name of N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide (CID 90584423) is N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide.
What is the SMILES notation for N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide?
The canonical SMILES for N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide is CCNC(=O)C(=O)NCC1(OC)CCSC1.
What is the InChIKey of N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide?
The InChIKey is KTAHYTNWZJZQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-11-8(13)9(14)12-6-10(15-2)4-5-16-7-10/h3-7H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide?
N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide has a molecular weight of 246.33 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(3-methoxythiolan-3-yl)methyl]oxamide is sourced from PubChem (CID 90584423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).