hexyl(thiophen-2-yl)carbamic acid

C11H17NO2S — CID 174246843

IUPAChexyl(thiophen-2-yl)carbamic acid
SMILESCCCCCCN(C(=O)O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-2-3-4-5-8-12(11(13)14)10-7-6-9-15-10/h6-7,9H,2-5,8H2,1H3,(H,13,14)
InChIKeyWLWCZFRXUVZPHH-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.81
Rot. Bonds6

About hexyl(thiophen-2-yl)carbamic acid

hexyl(thiophen-2-yl)carbamic acid (PubChem CID 174246843) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is hexyl(thiophen-2-yl)carbamic acid.

Molecular Properties

Compound Namehexyl(thiophen-2-yl)carbamic acid
PubChem CID174246843
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namehexyl(thiophen-2-yl)carbamic acid
SMILESCCCCCCN(C(=O)O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-2-3-4-5-8-12(11(13)14)10-7-6-9-15-10/h6-7,9H,2-5,8H2,1H3,(H,13,14)
InChIKeyWLWCZFRXUVZPHH-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hexyl(thiophen-2-yl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl N-hexyl-N-thiophen-2-ylcarbamate
CID 57253671
6-[butanoyl(thiophen-2-yl)amino]hexanoic acid
CID 57198799
octyl(phenyl)carbamic acid
CID 54301990
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
(4-aminophenyl)-icosylcarbamic acid
CID 57279079
[4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid
CID 57122019
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
2-hydroxy-3-[octyl(thiophene-2-carbonyl)amino]benzoic acid
CID 67784923
N-hexyl-N-phenylacetamide
CID 13217997
2-ethylheptyl N-benzyl-N-thiophen-2-ylcarbamate
CID 143124562
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817

Frequently Asked Questions

What is the IUPAC name of hexyl(thiophen-2-yl)carbamic acid?
The IUPAC name of hexyl(thiophen-2-yl)carbamic acid (CID 174246843) is hexyl(thiophen-2-yl)carbamic acid.
What is the SMILES notation for hexyl(thiophen-2-yl)carbamic acid?
The canonical SMILES for hexyl(thiophen-2-yl)carbamic acid is CCCCCCN(C(=O)O)c1cccs1.
What is the InChIKey of hexyl(thiophen-2-yl)carbamic acid?
The InChIKey is WLWCZFRXUVZPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-3-4-5-8-12(11(13)14)10-7-6-9-15-10/h6-7,9H,2-5,8H2,1H3,(H,13,14).
What are the key properties of hexyl(thiophen-2-yl)carbamic acid?
hexyl(thiophen-2-yl)carbamic acid has a molecular weight of 227.33 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(thiophen-2-yl)carbamic acid is sourced from PubChem (CID 174246843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).