ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate

C15H21F3N2O4S — CID 140731532

IUPACethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)C1CCSC1NC(=O)C1CCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2O4S/c1-2-24-14(23)20-12(22)10-5-6-25-13(10)19-11(21)8-3-4-9(7-8)15(16,17)18/h8-10,13H,2-7H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyIVDGZIAQGTVLQO-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.43
Rot. Bonds4

About ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate

ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate (PubChem CID 140731532) has the molecular formula C15H21F3N2O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate
PubChem CID140731532
Molecular FormulaC15H21F3N2O4S
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Nameethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)C1CCSC1NC(=O)C1CCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2O4S/c1-2-24-14(23)20-12(22)10-5-6-25-13(10)19-11(21)8-3-4-9(7-8)15(16,17)18/h8-10,13H,2-7H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyIVDGZIAQGTVLQO-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123917363
ethyl N-[2-[[3-[4-(trifluoromethyl)cyclohexyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine-6-carbonyl]amino]thiolane-3-carbonyl]carbamate
CID 140731599
ethyl N-[2-(1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123645276
ethyl N-(cyclopropanecarbonyl)carbamate
CID 45084465
ethyl N-[2-[(5-methyl-2,3-dihydro-1-benzothiophene-2-carbonyl)amino]thiolane-3-carbonyl]carbamate
CID 123238565
N-cyclopropyl-3-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126783084
propan-2-yl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate
CID 140731555
ethyl N-[2-(2,3-dihydro-1H-benzotriazole-5-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123616807
ethyl N-[2-[(5-acetyl-2,3-dihydro-1-benzothiophene-2-carbonyl)amino]thiolane-3-carbonyl]carbamate
CID 123393841
ethyl N-[2-[3-(2,3-dihydro-1,3-benzothiazol-2-yl)prop-2-enoylamino]thiolane-3-carbonyl]carbamate
CID 123986344
2-(2-ethoxyethoxy)ethyl N-[2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123249845
ethyl N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene-3-carbonylamino)-5-cyclohexylthiolane-3-carbonyl]carbamate
CID 123408809

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate (CID 140731532) is ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate is CCOC(=O)NC(=O)C1CCSC1NC(=O)C1CCC(C(F)(F)F)C1.
What is the InChIKey of ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate?
The InChIKey is IVDGZIAQGTVLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O4S/c1-2-24-14(23)20-12(22)10-5-6-25-13(10)19-11(21)8-3-4-9(7-8)15(16,17)18/h8-10,13H,2-7H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate?
ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate has a molecular weight of 382.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[3-(trifluoromethyl)cyclopentanecarbonyl]amino]thiolane-3-carbonyl]carbamate is sourced from PubChem (CID 140731532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).