methyl N-[(4-bromothiophen-2-yl)methyl]carbamate

C7H8BrNO2S — CID 61217670

IUPACmethyl N-[(4-bromothiophen-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C7H8BrNO2S/c1-11-7(10)9-3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H,9,10)
InChIKeyKBJNLCPFWUDKMO-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.37
Rot. Bonds2

About methyl N-[(4-bromothiophen-2-yl)methyl]carbamate

methyl N-[(4-bromothiophen-2-yl)methyl]carbamate (PubChem CID 61217670) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is methyl N-[(4-bromothiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-bromothiophen-2-yl)methyl]carbamate
PubChem CID61217670
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Namemethyl N-[(4-bromothiophen-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C7H8BrNO2S/c1-11-7(10)9-3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H,9,10)
InChIKeyKBJNLCPFWUDKMO-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl ((5-bromothiophen-2-yl)methyl)carbamate
CID 2779810
1-(4-Bromothiophen-2-yl)-N-methylmethanamine
CID 42282034
tert-butyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 46739291
(5-Bromo-3-fluorothiophen-2-yl)methylcarbamic acid
CID 130344894
tert-Butyl ((5-bromo-3-fluorothiophen-2-yl)methyl)carbamate
CID 130358242
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 24974631
N-[(4-bromothiophen-2-yl)methyl]-2-sulfanylacetamide
CID 65627843
2,2,2-trifluoroethyl N-[(4-bromothiophen-2-yl)methyl]-N-methylcarbamate
CID 61068484
2,2,2-trifluoroethyl N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 61068661
2,2,2-trifluoroethyl N-[(5-bromothiophen-2-yl)methyl]carbamate
CID 61779605
N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 62492525

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(4-bromothiophen-2-yl)methyl]carbamate (CID 61217670) is methyl N-[(4-bromothiophen-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(4-bromothiophen-2-yl)methyl]carbamate is COC(=O)NCc1cc(Br)cs1.
What is the InChIKey of methyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
The InChIKey is KBJNLCPFWUDKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-11-7(10)9-3-6-2-5(8)4-12-6/h2,4H,3H2,1H3,(H,9,10).
What are the key properties of methyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
methyl N-[(4-bromothiophen-2-yl)methyl]carbamate has a molecular weight of 250.12 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-bromothiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 61217670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).