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

C14H24N2O3S — CID 90584434

IUPACN'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NC2CCCCC2)CCSC1
InChIInChI=1S/C14H24N2O3S/c1-19-14(7-8-20-10-14)9-15-12(17)13(18)16-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,15,17)(H,16,18)
InChIKeyBNCUENVYKMTRNZ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.07
Rot. Bonds4

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

N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide (PubChem CID 90584434) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide
PubChem CID90584434
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NC2CCCCC2)CCSC1
InChIInChI=1S/C14H24N2O3S/c1-19-14(7-8-20-10-14)9-15-12(17)13(18)16-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,15,17)(H,16,18)
InChIKeyBNCUENVYKMTRNZ-UHFFFAOYSA-N
XLogP1.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide
CID 90584231
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
CID 124522785
1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea
CID 113360608
N'-(3-methoxyphenyl)-N-[(3-methoxythiolan-3-yl)methyl]oxamide
CID 90584455
N-[[(3S)-3-methoxythiolan-3-yl]methyl]-N'-pyridin-3-yloxamide
CID 97414759
N-[(3-methoxythiolan-3-yl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 90584491
N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
CID 97414772
2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584294
3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301
3,4,5-triethoxy-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584342
2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414634
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide (CID 90584434) is N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide is COC1(CNC(=O)C(=O)NC2CCCCC2)CCSC1.
What is the InChIKey of N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
The InChIKey is BNCUENVYKMTRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-19-14(7-8-20-10-14)9-15-12(17)13(18)16-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide?
N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide has a molecular weight of 300.42 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide is sourced from PubChem (CID 90584434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).