[1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid

C10H14BrNO2S — CID 66927394

IUPAC[1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,3)8(12-9(13)14)6-4-5-7(11)15-6/h4-5,8,12H,1-3H3,(H,13,14)
InChIKeyJZRCGFJUHYZKCO-UHFFFAOYSA-N
MW292.20 g/mol
LogP3.87
Rot. Bonds2

About [1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid

[1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid (PubChem CID 66927394) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid
PubChem CID66927394
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name[1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,3)8(12-9(13)14)6-4-5-7(11)15-6/h4-5,8,12H,1-3H3,(H,13,14)
InChIKeyJZRCGFJUHYZKCO-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid (CID 66927394) is [1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid is CC(C)(C)C(NC(=O)O)c1ccc(Br)s1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid?
The InChIKey is JZRCGFJUHYZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-10(2,3)8(12-9(13)14)6-4-5-7(11)15-6/h4-5,8,12H,1-3H3,(H,13,14).
What are the key properties of [1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid?
[1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid has a molecular weight of 292.20 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 66927394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).