propyl N-hexyl-N-thiophen-2-ylcarbamate

C14H23NO2S — CID 57253671

IUPACpropyl N-hexyl-N-thiophen-2-ylcarbamate
SMILESCCCCCCN(C(=O)OCCC)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-3-5-6-7-10-15(13-9-8-12-18-13)14(16)17-11-4-2/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeySUMBMXBOPAYQOR-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.68
Rot. Bonds8

About propyl N-hexyl-N-thiophen-2-ylcarbamate

propyl N-hexyl-N-thiophen-2-ylcarbamate (PubChem CID 57253671) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is propyl N-hexyl-N-thiophen-2-ylcarbamate.

Molecular Properties

Compound Namepropyl N-hexyl-N-thiophen-2-ylcarbamate
PubChem CID57253671
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Namepropyl N-hexyl-N-thiophen-2-ylcarbamate
SMILESCCCCCCN(C(=O)OCCC)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-3-5-6-7-10-15(13-9-8-12-18-13)14(16)17-11-4-2/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeySUMBMXBOPAYQOR-UHFFFAOYSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.68
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

hexyl(thiophen-2-yl)carbamic acid
CID 174246843
6-[butanoyl(thiophen-2-yl)amino]hexanoic acid
CID 57198799
propyl N,N-diheptylcarbamate
CID 168918832
2-ethylheptyl N-benzyl-N-thiophen-2-ylcarbamate
CID 143124562
heptyl thiophene-2-carboxylate
CID 574115
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
hexyl N-[(N-hexoxycarbonylanilino)methyl]-N-phenylcarbamate
CID 91468455
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
decyl 2-thiophen-2-ylacetate
CID 566129

Frequently Asked Questions

What is the IUPAC name of propyl N-hexyl-N-thiophen-2-ylcarbamate?
The IUPAC name of propyl N-hexyl-N-thiophen-2-ylcarbamate (CID 57253671) is propyl N-hexyl-N-thiophen-2-ylcarbamate.
What is the SMILES notation for propyl N-hexyl-N-thiophen-2-ylcarbamate?
The canonical SMILES for propyl N-hexyl-N-thiophen-2-ylcarbamate is CCCCCCN(C(=O)OCCC)c1cccs1.
What is the InChIKey of propyl N-hexyl-N-thiophen-2-ylcarbamate?
The InChIKey is SUMBMXBOPAYQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-5-6-7-10-15(13-9-8-12-18-13)14(16)17-11-4-2/h8-9,12H,3-7,10-11H2,1-2H3.
What are the key properties of propyl N-hexyl-N-thiophen-2-ylcarbamate?
propyl N-hexyl-N-thiophen-2-ylcarbamate has a molecular weight of 269.41 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-hexyl-N-thiophen-2-ylcarbamate is sourced from PubChem (CID 57253671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).