N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide

C11H19NO2S — CID 90584231

IUPACN-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide
SMILESCOC1(CNC(=O)C2CCC2)CCSC1
InChIInChI=1S/C11H19NO2S/c1-14-11(5-6-15-8-11)7-12-10(13)9-3-2-4-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyIYNXPOUDTFJBRO-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.42
Rot. Bonds4

About N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide

N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide (PubChem CID 90584231) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide
PubChem CID90584231
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide
SMILESCOC1(CNC(=O)C2CCC2)CCSC1
InChIInChI=1S/C11H19NO2S/c1-14-11(5-6-15-8-11)7-12-10(13)9-3-2-4-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyIYNXPOUDTFJBRO-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-N-[(3-methoxythiolan-3-yl)methyl]oxamide
CID 90584434
3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 71804831
1-(4-methoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804942
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584294
N-[(3-methoxythiolan-3-yl)methyl]furan-3-carboxamide
CID 71804880
1-[(3-methoxythiolan-3-yl)methyl]-3-(2-methylphenyl)urea
CID 71804937
N-[(3-methoxythiolan-3-yl)methyl]-3,3-diphenylpropanamide
CID 90584333

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide (CID 90584231) is N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide is COC1(CNC(=O)C2CCC2)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide?
The InChIKey is IYNXPOUDTFJBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-14-11(5-6-15-8-11)7-12-10(13)9-3-2-4-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide?
N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide has a molecular weight of 229.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 90584231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).