4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol

C10H14BrClN2OS — CID 120962467

IUPAC4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C10H14BrClN2OS/c11-8-1-7(16-10(8)12)4-13-2-6-3-14-5-9(6)15/h1,6,9,13-15H,2-5H2
InChIKeyANDYQKXMHRMMNK-UHFFFAOYSA-N
MW325.66 g/mol
LogP1.83
Rot. Bonds4

About 4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol

4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962467) has the molecular formula C10H14BrClN2OS and a molecular weight of 325.66 g/mol. Its IUPAC name is 4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962467
Molecular FormulaC10H14BrClN2OS
Molecular Weight325.66 g/mol
Exact Mass323.97
IUPAC Name4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C10H14BrClN2OS/c11-8-1-7(16-10(8)12)4-13-2-6-3-14-5-9(6)15/h1,6,9,13-15H,2-5H2
InChIKeyANDYQKXMHRMMNK-UHFFFAOYSA-N
XLogP1.83
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.66
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol (CID 120962467) is 4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1cc(Br)c(Cl)s1.
What is the InChIKey of 4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is ANDYQKXMHRMMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2OS/c11-8-1-7(16-10(8)12)4-13-2-6-3-14-5-9(6)15/h1,6,9,13-15H,2-5H2.
What are the key properties of 4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 325.66 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).