[1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid

C11H16BrNO2S — CID 66591203

IUPAC[1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid
SMILESCC(C)(C)C(Cc1cc(Br)cs1)NC(=O)O
InChIInChI=1S/C11H16BrNO2S/c1-11(2,3)9(13-10(14)15)5-8-4-7(12)6-16-8/h4,6,9,13H,5H2,1-3H3,(H,14,15)
InChIKeySGCAMYLNLJWAJJ-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.74
Rot. Bonds3

About [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid

[1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid (PubChem CID 66591203) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid
PubChem CID66591203
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name[1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid
SMILESCC(C)(C)C(Cc1cc(Br)cs1)NC(=O)O
InChIInChI=1S/C11H16BrNO2S/c1-11(2,3)9(13-10(14)15)5-8-4-7(12)6-16-8/h4,6,9,13H,5H2,1-3H3,(H,14,15)
InChIKeySGCAMYLNLJWAJJ-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid with MolForge

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Related Compounds

[1-[4-Bromo-5-(3-fluorophenyl)sulfanylthiophen-2-yl]-3,3-dimethylbutan-2-yl]carbamic acid
CID 68792311
tert-butyl N-[1-(4-bromothiophen-2-yl)propyl]carbamate
CID 57908838
tert-butyl N-[2-(4-bromothiophen-2-yl)ethyl]carbamate
CID 57984517
[1-(5-Bromothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid
CID 66927394
2-(4-Bromothiophen-2-yl)ethylcarbamic acid
CID 67019053
[1-[5-(Benzenesulfonyl)-4-bromothiophen-2-yl]-3,3-dimethylbutan-2-yl]carbamic acid;carbamic acid
CID 68729424
[1-[5-(Benzenesulfonyl)-4-bromothiophen-2-yl]-3,3-dimethylbutan-2-yl]carbamic acid
CID 68729425
[1-(4-Bromo-5-phenylsulfanylthiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 68730155
[1-(4-Bromothiophen-2-yl)-2-phenylethyl]carbamic acid
CID 68927675
[2-(4-Bromothiophen-2-yl)-2-phenylethyl]carbamic acid
CID 69500458
(2,2-Dimethyl-1-thiophen-2-ylpropyl)carbamic acid
CID 70162116
3-[2-bromo-5-[(1R)-1-(cyclopropylamino)ethyl]thiophen-3-yl]propylcarbamic acid
CID 118306489

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid?
The IUPAC name of [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid (CID 66591203) is [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid.
What is the SMILES notation for [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid?
The canonical SMILES for [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid is CC(C)(C)C(Cc1cc(Br)cs1)NC(=O)O.
What is the InChIKey of [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid?
The InChIKey is SGCAMYLNLJWAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-11(2,3)9(13-10(14)15)5-8-4-7(12)6-16-8/h4,6,9,13H,5H2,1-3H3,(H,14,15).
What are the key properties of [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid?
[1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid has a molecular weight of 306.23 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]carbamic acid is sourced from PubChem (CID 66591203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).