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

C15H25NO2S — CID 114749403

IUPACtert-butyl N-(5-hexylthiophen-3-yl)carbamate
SMILESCCCCCCc1cc(NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C15H25NO2S/c1-5-6-7-8-9-13-10-12(11-19-13)16-14(17)18-15(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyALCFILPVVVCXIJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP5.22
Rot. Bonds6

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

tert-butyl N-(5-hexylthiophen-3-yl)carbamate (PubChem CID 114749403) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is tert-butyl N-(5-hexylthiophen-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-hexylthiophen-3-yl)carbamate
PubChem CID114749403
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Nametert-butyl N-(5-hexylthiophen-3-yl)carbamate
SMILESCCCCCCc1cc(NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C15H25NO2S/c1-5-6-7-8-9-13-10-12(11-19-13)16-14(17)18-15(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyALCFILPVVVCXIJ-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(5-propylthiophen-3-yl)carbamate
CID 114749418
4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 58718154
tert-butyl N-[4-fluoro-3-(heptylamino)phenyl]carbamate
CID 107241007
methyl 5-[4-(carbamoylamino)thiophen-2-yl]pentanoate
CID 11832039
tert-butyl 2-amino-5-decylthiophene-3-carboxylate
CID 21030833
tert-butyl N-[3-(4-decylanilino)-3-oxopropyl]carbamate
CID 162755789
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
tert-butyl N-[5-(hexylamino)-2-methoxyphenyl]carbamate
CID 107239632
5-butylnonan-5-yl-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]tin
CID 162372932
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-(11,17,23-triamino-25,26,27,28-tetrapentoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)carbamate
CID 10605629

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-hexylthiophen-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-hexylthiophen-3-yl)carbamate (CID 114749403) is tert-butyl N-(5-hexylthiophen-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-hexylthiophen-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-hexylthiophen-3-yl)carbamate is CCCCCCc1cc(NC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-(5-hexylthiophen-3-yl)carbamate?
The InChIKey is ALCFILPVVVCXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-6-7-8-9-13-10-12(11-19-13)16-14(17)18-15(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(5-hexylthiophen-3-yl)carbamate?
tert-butyl N-(5-hexylthiophen-3-yl)carbamate has a molecular weight of 283.44 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-hexylthiophen-3-yl)carbamate is sourced from PubChem (CID 114749403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).