2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide

C12H23NO2S — CID 90584234

IUPAC2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCC1(OC)CCSC1
InChIInChI=1S/C12H23NO2S/c1-4-10(5-2)11(14)13-8-12(15-3)6-7-16-9-12/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyOENPLSFBDMXCKT-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.06
Rot. Bonds6

About 2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide

2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide (PubChem CID 90584234) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide
PubChem CID90584234
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCC1(OC)CCSC1
InChIInChI=1S/C12H23NO2S/c1-4-10(5-2)11(14)13-8-12(15-3)6-7-16-9-12/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyOENPLSFBDMXCKT-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide
CID 90584430
N-[(3-methoxythiolan-3-yl)methyl]cyclobutanecarboxamide
CID 90584231
3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301
2-ethylsulfanyl-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584295
3,4,5-triethoxy-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584342
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
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
1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804938
N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
CID 97414613
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide (CID 90584234) is 2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide is CCC(CC)C(=O)NCC1(OC)CCSC1.
What is the InChIKey of 2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide?
The InChIKey is OENPLSFBDMXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-4-10(5-2)11(14)13-8-12(15-3)6-7-16-9-12/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide?
2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide has a molecular weight of 245.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-methoxythiolan-3-yl)methyl]butanamide is sourced from PubChem (CID 90584234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).