tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate

C16H24O2S — CID 114276173

IUPACtert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate
SMILESCC(C)Cc1scc(C(=O)OC(C)(C)C)c1C1CC1
InChIInChI=1S/C16H24O2S/c1-10(2)8-13-14(11-6-7-11)12(9-19-13)15(17)18-16(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyCKTIZENLQRXAKO-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.78
Rot. Bonds4

About tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate

tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate (PubChem CID 114276173) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate
PubChem CID114276173
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Nametert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate
SMILESCC(C)Cc1scc(C(=O)OC(C)(C)C)c1C1CC1
InChIInChI=1S/C16H24O2S/c1-10(2)8-13-14(11-6-7-11)12(9-19-13)15(17)18-16(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyCKTIZENLQRXAKO-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-methyl-3-(2-methylpropyl)benzoic acid
CID 165178848
4-cyclobutyl-5-ethylthiophene-3-carboxylic acid
CID 131209297
tert-butyl 5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 114748276
4-(2-methylpropyl)-5-propan-2-ylthiophene-3-carboxylic acid
CID 114868931
ditert-butyl 5H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 70125768
tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate
CID 155375435
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
CID 19100734
tert-butyl 4-[1-(4-methoxycarbonyl-3-methylthiophen-2-yl)ethenyl]piperidine-1-carboxylate
CID 121314985
tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
CID 19100804
tert-butyl 3-cyclopropyl-4-[(4,4-difluoro-1-adamantyl)methoxy]-2-fluorobenzoate
CID 150490785
tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate
CID 144740528
tert-butyl 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoate
CID 4996955

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate?
The IUPAC name of tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate (CID 114276173) is tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate?
The canonical SMILES for tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate is CC(C)Cc1scc(C(=O)OC(C)(C)C)c1C1CC1.
What is the InChIKey of tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate?
The InChIKey is CKTIZENLQRXAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c1-10(2)8-13-14(11-6-7-11)12(9-19-13)15(17)18-16(3,4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate?
tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate has a molecular weight of 280.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclopropyl-5-(2-methylpropyl)thiophene-3-carboxylate is sourced from PubChem (CID 114276173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).