butyl(thiophen-2-ylmethyl)carbamic acid

C10H15NO2S — CID 91545784

IUPACbutyl(thiophen-2-ylmethyl)carbamic acid
SMILESCCCCN(Cc1cccs1)C(=O)O
InChIInChI=1S/C10H15NO2S/c1-2-3-6-11(10(12)13)8-9-5-4-7-14-9/h4-5,7H,2-3,6,8H2,1H3,(H,12,13)
InChIKeyAIRBJINEBYGVJZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.03
Rot. Bonds5

About butyl(thiophen-2-ylmethyl)carbamic acid

butyl(thiophen-2-ylmethyl)carbamic acid (PubChem CID 91545784) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is butyl(thiophen-2-ylmethyl)carbamic acid.

Molecular Properties

Compound Namebutyl(thiophen-2-ylmethyl)carbamic acid
PubChem CID91545784
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Namebutyl(thiophen-2-ylmethyl)carbamic acid
SMILESCCCCN(Cc1cccs1)C(=O)O
InChIInChI=1S/C10H15NO2S/c1-2-3-6-11(10(12)13)8-9-5-4-7-14-9/h4-5,7H,2-3,6,8H2,1H3,(H,12,13)
InChIKeyAIRBJINEBYGVJZ-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butyl(thiophen-2-ylmethyl)carbamic acid?
The IUPAC name of butyl(thiophen-2-ylmethyl)carbamic acid (CID 91545784) is butyl(thiophen-2-ylmethyl)carbamic acid.
What is the SMILES notation for butyl(thiophen-2-ylmethyl)carbamic acid?
The canonical SMILES for butyl(thiophen-2-ylmethyl)carbamic acid is CCCCN(Cc1cccs1)C(=O)O.
What is the InChIKey of butyl(thiophen-2-ylmethyl)carbamic acid?
The InChIKey is AIRBJINEBYGVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-3-6-11(10(12)13)8-9-5-4-7-14-9/h4-5,7H,2-3,6,8H2,1H3,(H,12,13).
What are the key properties of butyl(thiophen-2-ylmethyl)carbamic acid?
butyl(thiophen-2-ylmethyl)carbamic acid has a molecular weight of 213.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(thiophen-2-ylmethyl)carbamic acid is sourced from PubChem (CID 91545784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).