[4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid

C15H25NO2S — CID 57122019

IUPAC[4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid
SMILESCC(C)CC(CC(C)C)CN(C(=O)O)c1cccs1
InChIInChI=1S/C15H25NO2S/c1-11(2)8-13(9-12(3)4)10-16(15(17)18)14-6-5-7-19-14/h5-7,11-13H,8-10H2,1-4H3,(H,17,18)
InChIKeyZNRJTZDESNPZGW-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.94
Rot. Bonds7

About [4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid

[4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid (PubChem CID 57122019) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is [4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid.

Molecular Properties

Compound Name[4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid
PubChem CID57122019
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name[4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid
SMILESCC(C)CC(CC(C)C)CN(C(=O)O)c1cccs1
InChIInChI=1S/C15H25NO2S/c1-11(2)8-13(9-12(3)4)10-16(15(17)18)14-6-5-7-19-14/h5-7,11-13H,8-10H2,1-4H3,(H,17,18)
InChIKeyZNRJTZDESNPZGW-UHFFFAOYSA-N
XLogP4.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[methyl(thiophen-2-yl)carbamoyl]propanedioic acid
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[2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate
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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid?
The IUPAC name of [4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid (CID 57122019) is [4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid.
What is the SMILES notation for [4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid?
The canonical SMILES for [4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid is CC(C)CC(CC(C)C)CN(C(=O)O)c1cccs1.
What is the InChIKey of [4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid?
The InChIKey is ZNRJTZDESNPZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(2)8-13(9-12(3)4)10-16(15(17)18)14-6-5-7-19-14/h5-7,11-13H,8-10H2,1-4H3,(H,17,18).
What are the key properties of [4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid?
[4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid has a molecular weight of 283.44 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid is sourced from PubChem (CID 57122019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).