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

C11H18N2O3S — CID 90584425

IUPACN'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NC2CC2)CCSC1
InChIInChI=1S/C11H18N2O3S/c1-16-11(4-5-17-7-11)6-12-9(14)10(15)13-8-2-3-8/h8H,2-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyBVWPSPGRCUXMAP-UHFFFAOYSA-N
MW258.34 g/mol
LogP-0.10
Rot. Bonds4

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

N'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide (PubChem CID 90584425) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide
PubChem CID90584425
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NC2CC2)CCSC1
InChIInChI=1S/C11H18N2O3S/c1-16-11(4-5-17-7-11)6-12-9(14)10(15)13-8-2-3-8/h8H,2-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyBVWPSPGRCUXMAP-UHFFFAOYSA-N
XLogP-0.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-0.10
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'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide (CID 90584425) is N'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide is COC1(CNC(=O)C(=O)NC2CC2)CCSC1.
What is the InChIKey of N'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
The InChIKey is BVWPSPGRCUXMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-16-11(4-5-17-7-11)6-12-9(14)10(15)13-8-2-3-8/h8H,2-7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
N'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide has a molecular weight of 258.34 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide is sourced from PubChem (CID 90584425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).