tert-butyl N-(5-propylthiophen-3-yl)carbamate

C12H19NO2S — CID 114749418

IUPACtert-butyl N-(5-propylthiophen-3-yl)carbamate
SMILESCCCc1cc(NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C12H19NO2S/c1-5-6-10-7-9(8-16-10)13-11(14)15-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyCXTCZQDSQBLFEP-UHFFFAOYSA-N
MW241.36 g/mol
LogP4.05
Rot. Bonds3

About tert-butyl N-(5-propylthiophen-3-yl)carbamate

tert-butyl N-(5-propylthiophen-3-yl)carbamate (PubChem CID 114749418) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is tert-butyl N-(5-propylthiophen-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-propylthiophen-3-yl)carbamate
PubChem CID114749418
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nametert-butyl N-(5-propylthiophen-3-yl)carbamate
SMILESCCCc1cc(NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C12H19NO2S/c1-5-6-10-7-9(8-16-10)13-11(14)15-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyCXTCZQDSQBLFEP-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(5-hexylthiophen-3-yl)carbamate
CID 114749403
4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 58718154
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(5-methylfuran-3-yl)carbamate
CID 130056498
tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate
CID 122608960
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-(4-butanoylphenyl)carbamate
CID 69331401
tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate
CID 174948003
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(3,5-dinitrosophenyl)carbamate
CID 129228787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-propylthiophen-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-propylthiophen-3-yl)carbamate (CID 114749418) is tert-butyl N-(5-propylthiophen-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-propylthiophen-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-propylthiophen-3-yl)carbamate is CCCc1cc(NC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-(5-propylthiophen-3-yl)carbamate?
The InChIKey is CXTCZQDSQBLFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-5-6-10-7-9(8-16-10)13-11(14)15-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(5-propylthiophen-3-yl)carbamate?
tert-butyl N-(5-propylthiophen-3-yl)carbamate has a molecular weight of 241.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-propylthiophen-3-yl)carbamate is sourced from PubChem (CID 114749418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).