2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate

C8H10ClNO3S — CID 79348989

IUPAC2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)s1)OCCO
InChIInChI=1S/C8H10ClNO3S/c9-7-2-1-6(14-7)5-10-8(12)13-4-3-11/h1-2,11H,3-5H2,(H,10,12)
InChIKeyXUSOKVHIYFVPAV-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.62
Rot. Bonds4

About 2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate

2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate (PubChem CID 79348989) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate
PubChem CID79348989
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)s1)OCCO
InChIInChI=1S/C8H10ClNO3S/c9-7-2-1-6(14-7)5-10-8(12)13-4-3-11/h1-2,11H,3-5H2,(H,10,12)
InChIKeyXUSOKVHIYFVPAV-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate (CID 79348989) is 2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate is O=C(NCc1ccc(Cl)s1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate?
The InChIKey is XUSOKVHIYFVPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c9-7-2-1-6(14-7)5-10-8(12)13-4-3-11/h1-2,11H,3-5H2,(H,10,12).
What are the key properties of 2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate?
2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate has a molecular weight of 235.69 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 79348989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).