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

C8H10BrNO3S — CID 79348647

IUPAC2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate
SMILESO=C(NCc1cc(Br)cs1)OCCO
InChIInChI=1S/C8H10BrNO3S/c9-6-3-7(14-5-6)4-10-8(12)13-2-1-11/h3,5,11H,1-2,4H2,(H,10,12)
InChIKeyZEOYCDHHLFZLLX-UHFFFAOYSA-N
MW280.14 g/mol
LogP1.73
Rot. Bonds4

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

2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate (PubChem CID 79348647) has the molecular formula C8H10BrNO3S and a molecular weight of 280.14 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate
PubChem CID79348647
Molecular FormulaC8H10BrNO3S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate
SMILESO=C(NCc1cc(Br)cs1)OCCO
InChIInChI=1S/C8H10BrNO3S/c9-6-3-7(14-5-6)4-10-8(12)13-2-1-11/h3,5,11H,1-2,4H2,(H,10,12)
InChIKeyZEOYCDHHLFZLLX-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
1-[(4-bromothiophen-2-yl)methyl]-3-(3-hydroxypropyl)urea
CID 110894395
2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate
CID 79348989
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119731588
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]butanamide;hydrochloride
CID 119293800
N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
CID 47352361
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
1-[(4-bromothiophen-2-yl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
CID 87034524

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate (CID 79348647) is 2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate is O=C(NCc1cc(Br)cs1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
The InChIKey is ZEOYCDHHLFZLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3S/c9-6-3-7(14-5-6)4-10-8(12)13-2-1-11/h3,5,11H,1-2,4H2,(H,10,12).
What are the key properties of 2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate?
2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate has a molecular weight of 280.14 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(4-bromothiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 79348647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).