tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate

C16H27NO2S — CID 141068986

IUPACtert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate
SMILESCCCCCN(CCc1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO2S/c1-5-6-7-11-17(15(18)19-16(2,3)4)12-10-14-9-8-13-20-14/h8-9,13H,5-7,10-12H2,1-4H3
InChIKeyBPRYKIIHQPDHLI-UHFFFAOYSA-N
MW297.46 g/mol
LogP4.72
Rot. Bonds7

About tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate

tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate (PubChem CID 141068986) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate
PubChem CID141068986
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Nametert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate
SMILESCCCCCN(CCc1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO2S/c1-5-6-7-11-17(15(18)19-16(2,3)4)12-10-14-9-8-13-20-14/h8-9,13H,5-7,10-12H2,1-4H3
InChIKeyBPRYKIIHQPDHLI-UHFFFAOYSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
Ethyl 7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 90632758
Methyl 7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155511200
Ethyl 1-oxo-7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155549741
Tert-butyl 4-(phenylthio)piperidine-1-carboxylate
CID 10589836
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 100042081
methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 145714287
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10706828
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate (CID 141068986) is tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate is CCCCCN(CCc1cccs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate?
The InChIKey is BPRYKIIHQPDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-5-6-7-11-17(15(18)19-16(2,3)4)12-10-14-9-8-13-20-14/h8-9,13H,5-7,10-12H2,1-4H3.
What are the key properties of tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate?
tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate has a molecular weight of 297.46 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pentyl-N-(2-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 141068986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).