(4-bromothiophen-2-yl)methyl-methylcarbamic acid

C7H8BrNO2S — CID 67019051

IUPAC(4-bromothiophen-2-yl)methyl-methylcarbamic acid
SMILESCN(Cc1cc(Br)cs1)C(=O)O
InChIInChI=1S/C7H8BrNO2S/c1-9(7(10)11)3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H,10,11)
InChIKeyNHSLRFCXFAWIEI-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.62
Rot. Bonds2

About (4-bromothiophen-2-yl)methyl-methylcarbamic acid

(4-bromothiophen-2-yl)methyl-methylcarbamic acid (PubChem CID 67019051) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)methyl-methylcarbamic acid.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)methyl-methylcarbamic acid
PubChem CID67019051
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name(4-bromothiophen-2-yl)methyl-methylcarbamic acid
SMILESCN(Cc1cc(Br)cs1)C(=O)O
InChIInChI=1S/C7H8BrNO2S/c1-9(7(10)11)3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H,10,11)
InChIKeyNHSLRFCXFAWIEI-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 46739291
Methyl 3-(((4-bromothiophen-2-yl)methyl)(methyl)amino)propanoate
CID 51086716
[4-Bromo-5-(3-fluorophenyl)sulfanylthiophen-2-yl]methyl-methylcarbamic acid
CID 68924787
(4-Fluorothiophen-2-yl)methyl-methylcarbamic acid
CID 146570668
1-(4-Bromothiophen-2-yl)-N,N-dimethylmethanamine
CID 22349555
N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 24974631
2,2,2-trifluoroethyl N-[(4-bromothiophen-2-yl)methyl]-N-methylcarbamate
CID 61068484
N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 61571648
N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide
CID 103513831
1-[1-(4-Bromothiophen-2-yl)ethyl]-1-hydroxyurea
CID 19780432
1-[(4-Bromothiophen-2-yl)methyl]-1-hydroxyurea
CID 19780494
1-[(4-Bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)methyl-methylcarbamic acid?
The IUPAC name of (4-bromothiophen-2-yl)methyl-methylcarbamic acid (CID 67019051) is (4-bromothiophen-2-yl)methyl-methylcarbamic acid.
What is the SMILES notation for (4-bromothiophen-2-yl)methyl-methylcarbamic acid?
The canonical SMILES for (4-bromothiophen-2-yl)methyl-methylcarbamic acid is CN(Cc1cc(Br)cs1)C(=O)O.
What is the InChIKey of (4-bromothiophen-2-yl)methyl-methylcarbamic acid?
The InChIKey is NHSLRFCXFAWIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-9(7(10)11)3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H,10,11).
What are the key properties of (4-bromothiophen-2-yl)methyl-methylcarbamic acid?
(4-bromothiophen-2-yl)methyl-methylcarbamic acid has a molecular weight of 250.12 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)methyl-methylcarbamic acid is sourced from PubChem (CID 67019051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).